#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm3 s LEU 1 N 0.00 4.17 -0.41 3.14 2.96 -0.01 -4.86 118.68 123.68 1rm3 s LEU 1 Ca 0.00 1.09 -0.29 0.00 -0.22 0.00 0.00 54.13 54.71 1rm3 s LEU 1 Cb 0.00 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.56 1rm3 s LEU 1 CO 0.00 -0.35 1.37 -0.54 -1.32 0.00 0.00 176.35 175.50 1rm3 s LYS 2 N 2.02 3.63 -0.08 1.98 1.02 -1.26 -0.21 119.74 126.83 1rm3 s LYS 2 Ca 0.36 0.93 -0.01 0.00 0.02 0.00 0.00 55.97 57.27 1rm3 s LYS 2 Cb -0.16 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.12 1rm3 s LYS 2 CO 0.12 -1.49 -0.04 0.08 -0.92 0.00 0.00 175.35 173.10 1rm3 s VAL 3 N 5.19 3.93 -0.01 3.17 1.01 0.64 -1.23 120.40 133.09 1rm3 s VAL 3 Ca 0.59 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1rm3 s VAL 3 Cb -0.13 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1rm3 s VAL 3 CO 0.31 0.59 -0.25 0.00 0.00 0.00 0.00 175.10 175.75 1rm3 s ALA 4 N -0.72 2.11 -0.22 5.51 0.00 -0.46 -1.27 121.76 126.71 1rm3 s ALA 4 Ca 0.11 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 1rm3 s ALA 4 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1rm3 s ALA 4 CO 0.02 0.52 0.07 0.42 0.00 0.00 0.00 175.76 176.78 1rm3 s ILE 5 N -0.61 4.55 -0.39 0.00 1.01 -0.47 -0.52 121.20 124.77 1rm3 s ILE 5 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1rm3 s ILE 5 Cb -0.10 -3.09 0.08 0.00 0.01 0.00 0.00 42.46 39.36 1rm3 s ILE 5 CO -0.01 0.38 0.19 0.21 0.00 0.00 0.00 174.94 175.72 1rm3 s ASN 6 N 1.09 5.38 0.00 3.58 3.84 0.09 -0.37 114.94 128.55 1rm3 s ASN 6 Ca 0.04 -1.63 0.00 0.00 0.21 0.00 0.00 52.86 51.48 1rm3 s ASN 6 Cb -0.14 -1.89 0.00 0.00 -0.55 0.00 0.00 41.25 38.67 1rm3 s ASN 6 CO 0.03 -0.49 0.00 0.61 -2.79 0.00 0.00 177.10 174.46 1rm3 n GLY 7 N 4.76 0.33 2.45 1.21 0.00 0.48 -0.85 105.19 113.56 1rm3 n GLY 7 Ca -0.08 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1rm3 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rm3 n PHE 8 N 0.38 1.93 -0.69 1.61 7.35 -1.25 -3.96 117.46 122.83 1rm3 n PHE 8 Ca 0.00 -2.32 0.00 0.00 -0.76 0.00 0.00 57.45 54.37 1rm3 n PHE 8 Cb 0.00 -1.63 0.00 0.00 0.35 0.00 0.00 39.48 38.20 1rm3 n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rm3 n GLY 9 N 1.44 1.62 0.11 7.13 0.00 -1.26 -4.51 105.19 109.71 1rm3 n GLY 9 Ca 0.55 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1rm3 n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rm3 h ARG 10 N 0.00 0.11 -0.19 1.61 2.47 -1.92 0.16 114.38 116.62 1rm3 h ARG 10 Ca 0.00 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 1rm3 h ARG 10 Cb 0.00 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1rm3 h ARG 10 CO 0.00 0.07 -0.32 0.82 0.56 0.00 0.00 179.97 181.10 1rm3 h ILE 11 N 0.11 1.34 -0.75 2.04 1.08 -1.90 -1.14 117.51 118.28 1rm3 h ILE 11 Ca 0.10 -1.54 0.07 0.00 -0.39 0.00 0.00 64.86 63.10 1rm3 h ILE 11 Cb 0.10 1.88 -0.06 0.00 -3.07 0.00 0.00 36.82 35.67 1rm3 h ILE 11 CO -0.14 0.47 0.43 1.23 -0.69 0.00 0.00 178.15 179.45 1rm3 h GLY 12 N 0.21 1.13 1.58 5.37 0.00 -1.63 0.41 103.07 110.14 1rm3 h GLY 12 Ca 0.01 -0.29 -0.25 0.00 0.00 0.00 0.00 47.33 46.80 1rm3 h GLY 12 CO 0.07 0.16 -1.08 3.21 0.00 0.00 0.00 176.54 178.90 1rm3 h ARG 13 N 0.76 0.34 -0.52 4.80 3.08 -0.68 -2.49 114.38 119.68 1rm3 h ARG 13 Ca 0.35 -0.46 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 1rm3 h ARG 13 Cb 0.25 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1rm3 h ARG 13 CO -0.21 1.16 -0.13 -0.91 -1.07 0.00 0.00 179.97 178.81 1rm3 h ASN 14 N 0.15 1.00 -0.01 7.04 4.21 -0.88 -2.11 115.58 124.99 1rm3 h ASN 14 Ca -0.11 -0.34 0.02 0.00 1.21 0.00 0.00 56.30 57.09 1rm3 h ASN 14 Cb 1.76 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 38.67 1rm3 h ASN 14 CO 0.18 1.12 -0.11 0.15 -1.29 0.00 0.00 177.43 177.48 1rm3 h PHE 15 N 0.88 -0.27 -0.41 1.19 3.57 -0.15 0.35 116.94 122.10 1rm3 h PHE 15 Ca 0.13 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1rm3 h PHE 15 Cb 0.69 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1rm3 h PHE 15 CO 0.04 -0.16 0.22 1.25 -2.23 0.00 0.00 178.31 177.43 1rm3 h LEU 16 N -0.18 0.33 -0.79 0.59 5.85 -1.34 0.80 115.31 120.57 1rm3 h LEU 16 Ca 0.04 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1rm3 h LEU 16 Cb 0.23 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1rm3 h LEU 16 CO -0.11 0.24 0.19 0.03 -0.34 0.00 0.00 178.44 178.44 1rm3 h ARG 17 N 0.44 1.10 0.01 1.25 3.08 -1.05 0.10 114.38 119.31 1rm3 h ARG 17 Ca 0.17 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1rm3 h ARG 17 Cb 0.06 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1rm3 h ARG 17 CO -0.11 0.96 -0.00 0.00 -1.07 0.00 0.00 179.97 179.74 1rm3 h TRP 18 N -0.10 0.32 -0.56 0.00 7.01 -0.68 -2.32 115.95 119.62 1rm3 h TRP 18 Ca -0.00 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.15 1rm3 h TRP 18 Cb 0.10 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1rm3 h TRP 18 CO -0.05 0.13 0.39 1.25 -2.79 0.00 0.00 178.44 177.37 1rm3 h HIS 18 N 0.37 0.19 -0.01 2.65 2.76 -0.52 -1.51 115.15 119.08 1rm3 h HIS 18 Ca 0.22 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1rm3 h HIS 18 Cb 0.20 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1rm3 h HIS 18 CO -0.14 0.08 -0.14 0.41 -1.30 0.00 0.00 177.93 176.84 1rm3 n GLY 19 N -1.59 -0.48 3.79 5.26 0.00 -0.88 -4.90 105.19 106.40 1rm3 n GLY 19 Ca 0.10 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1rm3 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rm3 s ARG 20 N -2.31 4.45 0.06 1.61 1.81 -0.57 -5.05 118.95 118.95 1rm3 s ARG 20 Ca 0.31 1.10 -0.19 0.00 -1.72 0.00 0.00 55.73 55.22 1rm3 s ARG 20 Cb 0.20 -2.97 -0.07 0.00 -0.45 0.00 0.00 34.95 31.67 1rm3 s ARG 20 CO 0.45 0.41 0.56 0.15 -0.68 0.00 0.00 175.30 176.19 1rm3 s LYS 21 N -1.76 4.19 -1.15 3.54 1.02 -1.26 -4.43 119.74 119.90 1rm3 s LYS 21 Ca 0.43 0.72 -0.27 0.00 0.02 0.00 0.00 55.97 56.87 1rm3 s LYS 21 Cb -0.19 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1rm3 s LYS 21 CO 0.24 0.63 0.72 -0.25 -0.92 0.00 0.00 175.35 175.76 1rm3 n ASP 22 N 1.79 -4.69 -4.75 2.83 8.00 -1.26 -4.91 116.55 113.56 1rm3 n ASP 22 Ca -0.10 -1.16 -0.40 0.00 0.71 0.00 0.00 54.79 53.84 1rm3 n ASP 22 Cb 0.51 -2.32 -0.05 0.00 -0.02 0.00 0.00 41.12 39.24 1rm3 n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rm3 s SER 23 N -3.45 7.54 0.00 -2.24 0.15 -1.26 -4.93 113.70 109.51 1rm3 s SER 23 Ca 0.44 1.98 0.31 0.00 0.70 0.00 0.00 55.95 59.38 1rm3 s SER 23 Cb -0.21 -2.61 1.75 0.00 -1.71 0.00 0.00 66.02 63.24 1rm3 s SER 23 CO 0.93 0.04 2.14 -0.81 1.20 0.00 0.00 173.24 176.74 1rm3 n PRO 24 N 1.76 1.11 -3.95 5.44 -0.04 -1.26 -4.47 135.00 133.59 1rm3 n PRO 24 Ca -0.01 -0.17 -0.34 0.00 -0.04 0.00 0.00 63.50 62.94 1rm3 n PRO 24 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 1rm3 n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rm3 s LEU 25 N -2.01 4.26 -0.31 1.53 1.43 -1.26 -0.83 118.68 121.49 1rm3 s LEU 25 Ca 0.46 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1rm3 s LEU 25 Cb 0.22 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 44.17 1rm3 s LEU 25 CO 0.36 0.31 0.09 -0.62 0.23 0.00 0.00 176.35 176.73 1rm3 s ASP 26 N -1.60 4.14 -0.40 2.29 2.15 0.70 -4.39 116.67 119.55 1rm3 s ASP 26 Ca 0.22 -1.71 -0.29 0.00 0.43 0.00 0.00 52.55 51.20 1rm3 s ASP 26 Cb -0.12 -0.97 0.02 0.00 -0.30 0.00 0.00 42.92 41.54 1rm3 s ASP 26 CO 0.13 -0.41 1.25 -0.69 -0.17 0.00 0.00 175.17 175.28 1rm3 s VAL 27 N 1.52 4.13 -0.02 1.11 1.01 -1.26 -0.26 120.40 126.63 1rm3 s VAL 27 Ca 0.10 1.20 0.11 0.00 0.00 0.00 0.00 61.98 63.40 1rm3 s VAL 27 Cb -0.17 -4.36 -0.18 0.00 0.00 0.00 0.00 36.38 31.67 1rm3 s VAL 27 CO -0.23 -0.76 0.25 1.33 0.00 0.00 0.00 175.10 175.69 1rm3 n VAL 28 N 6.67 0.01 -3.80 2.92 0.24 -0.40 -4.86 118.33 119.11 1rm3 n VAL 28 Ca 0.14 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1rm3 n VAL 28 Cb 0.48 0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.99 1rm3 n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rm3 s VAL 29 N -2.78 0.07 -0.05 3.34 0.11 -1.23 -0.91 120.40 118.94 1rm3 s VAL 29 Ca -0.04 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1rm3 s VAL 29 Cb 0.07 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1rm3 s VAL 29 CO 0.47 -0.31 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.20 1rm3 s ILE 30 N -1.40 0.97 -0.12 7.04 1.01 0.13 -1.36 121.20 127.47 1rm3 s ILE 30 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1rm3 s ILE 30 Cb -0.06 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1rm3 s ILE 30 CO 0.03 0.31 -0.13 0.21 0.00 0.00 0.00 174.94 175.37 1rm3 s ASN 31 N 0.63 4.06 -0.19 3.58 2.47 0.50 -0.80 114.94 125.18 1rm3 s ASN 31 Ca -0.12 -0.30 -0.27 0.00 0.42 0.00 0.00 52.86 52.59 1rm3 s ASN 31 Cb -0.14 -1.55 0.07 0.00 -1.45 0.00 0.00 41.25 38.18 1rm3 s ASN 31 CO 0.03 0.18 0.70 -0.62 -3.72 0.00 0.00 177.10 173.67 1rm3 s ASP 32 N 0.24 -0.71 0.16 -4.21 -1.08 -0.97 -0.39 116.67 109.70 1rm3 s ASP 32 Ca -0.08 1.19 -0.19 0.00 -0.52 0.00 0.00 52.55 52.94 1rm3 s ASP 32 Cb -0.15 1.14 0.07 0.00 -1.46 0.00 0.00 42.92 42.52 1rm3 s ASP 32 CO 0.05 -0.37 1.65 0.00 0.52 0.00 0.00 175.17 177.02 1rm3 h ALA 33 N 4.33 0.08 -2.14 3.66 0.00 -1.92 -3.40 119.26 119.86 1rm3 h ALA 33 Ca -0.28 0.12 -0.46 0.00 0.00 0.00 0.00 54.91 54.29 1rm3 h ALA 33 Cb 1.15 0.42 0.21 0.00 0.00 0.00 0.00 17.79 19.58 1rm3 h ALA 33 CO 0.17 -0.56 -0.00 0.41 0.00 0.00 0.00 179.25 179.27 1rm3 n GLY 34 N -1.35 -1.64 0.00 0.00 0.00 -1.26 -4.95 105.19 95.99 1rm3 n GLY 34 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1rm3 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rm3 n GLY 36 N 0.88 -0.81 0.14 -0.02 0.00 -1.26 -4.89 105.19 99.22 1rm3 n GLY 36 Ca 0.05 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 1rm3 n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rm3 h VAL 37 N -0.85 1.45 -0.51 1.61 3.04 -1.94 -2.45 116.25 116.61 1rm3 h VAL 37 Ca 0.00 -2.54 -0.06 0.00 -1.01 0.00 0.00 66.70 63.09 1rm3 h VAL 37 Cb 0.00 2.44 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 1rm3 h VAL 37 CO 0.00 0.75 0.07 0.11 -1.01 0.00 0.00 177.57 177.49 1rm3 h LYS 38 N 0.16 0.84 -0.55 4.17 1.57 -1.95 -1.41 116.57 119.41 1rm3 h LYS 38 Ca -0.06 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 1rm3 h LYS 38 Cb 1.53 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.72 1rm3 h LYS 38 CO 0.15 0.84 -0.04 1.96 -0.57 0.00 0.00 179.45 181.78 1rm3 h GLN 39 N 0.72 0.98 -0.31 3.15 4.20 -1.93 -0.35 115.11 121.57 1rm3 h GLN 39 Ca 0.15 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1rm3 h GLN 39 Cb 0.41 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1rm3 h GLN 39 CO 0.01 0.99 0.17 0.00 -0.67 0.00 0.00 178.83 179.33 1rm3 h ALA 40 N 1.05 0.39 -0.05 3.87 0.00 -1.18 0.12 119.26 123.46 1rm3 h ALA 40 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1rm3 h ALA 40 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rm3 h ALA 40 CO 0.03 -0.08 0.01 1.03 0.00 0.00 0.00 179.25 180.24 1rm3 h SER 41 N 0.38 0.08 0.20 0.00 0.87 -1.11 -2.48 113.55 111.48 1rm3 h SER 41 Ca 0.11 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1rm3 h SER 41 Cb 0.06 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1rm3 h SER 41 CO -0.02 0.30 -0.09 -0.74 -0.53 0.00 0.00 176.83 175.75 1rm3 h HIS 42 N -0.15 -0.25 0.00 2.24 6.17 -0.92 -1.71 115.15 120.53 1rm3 h HIS 42 Ca 0.02 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1rm3 h HIS 42 Cb 0.26 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.27 1rm3 h HIS 42 CO 0.01 -0.10 -0.03 -0.07 0.71 0.00 0.00 177.93 178.45 1rm3 h LEU 43 N -0.34 0.00 0.11 0.26 3.38 -0.85 0.65 115.31 118.52 1rm3 h LEU 43 Ca -0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 1rm3 h LEU 43 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1rm3 h LEU 43 CO 0.04 0.03 -1.26 0.25 0.09 0.00 0.00 178.44 177.60 1rm3 h LEU 44 N 0.00 0.66 -0.04 1.67 5.85 -1.32 -3.36 115.31 118.77 1rm3 h LEU 44 Ca -0.00 -0.65 -0.06 0.00 0.84 0.00 0.00 57.88 58.01 1rm3 h LEU 44 Cb 0.51 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1rm3 h LEU 44 CO 0.00 1.48 -0.21 0.50 -0.34 0.00 0.00 178.44 179.88 1rm3 h LYS 45 N 0.17 0.21 -5.05 1.25 1.63 -0.74 -3.41 116.57 110.63 1rm3 h LYS 45 Ca -0.17 -0.17 -0.65 0.00 -0.85 0.00 0.00 60.65 58.81 1rm3 h LYS 45 Cb 1.95 0.04 -0.25 0.00 -0.60 0.00 0.00 32.23 33.36 1rm3 h LYS 45 CO 0.22 0.84 -0.68 0.71 -3.45 0.00 0.00 179.45 177.09 1rm3 s TYR 46 N -3.53 3.00 -0.09 1.91 2.02 0.17 -0.53 117.35 120.31 1rm3 s TYR 46 Ca -0.15 -0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 55.88 1rm3 s TYR 46 Cb 0.02 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1rm3 s TYR 46 CO 0.74 -0.39 -0.04 0.34 -1.57 0.00 0.00 175.55 174.64 1rm3 s ASP 47 N 1.28 1.82 0.25 2.29 -1.08 -1.20 -4.50 116.67 115.52 1rm3 s ASP 47 Ca 0.04 -0.19 0.19 0.00 -0.52 0.00 0.00 52.55 52.07 1rm3 s ASP 47 Cb -0.15 -0.62 0.94 0.00 -1.46 0.00 0.00 42.92 41.63 1rm3 s ASP 47 CO 0.00 -0.15 1.57 -1.20 0.52 0.00 0.00 175.17 175.91 1rm3 n SER 48 N 4.98 0.48 -0.06 -0.34 7.64 -1.26 -0.69 113.62 124.37 1rm3 n SER 48 Ca -0.11 0.69 -0.11 0.00 1.01 0.00 0.00 58.87 60.35 1rm3 n SER 48 Cb 0.50 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 1rm3 n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1rm3 n ILE 49 N -2.11 0.65 0.51 0.44 5.41 -1.26 -4.71 119.36 118.29 1rm3 n ILE 49 Ca -0.00 -0.19 0.12 0.00 1.00 0.00 0.00 62.75 63.68 1rm3 n ILE 49 Cb 0.08 -1.42 0.23 0.00 -0.71 0.00 0.00 39.64 37.82 1rm3 n ILE 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rm3 h LEU 50 N -0.29 0.00 0.00 1.39 3.38 -1.98 -3.51 115.31 114.30 1rm3 h LEU 50 Ca -0.29 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1rm3 h LEU 50 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1rm3 h LEU 50 CO -0.14 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1rm3 n GLY 51 N 1.29 -3.13 3.70 0.83 0.00 0.14 -4.87 105.19 103.15 1rm3 n GLY 51 Ca 0.04 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1rm3 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rm3 s THR 52 N -0.86 3.70 0.13 2.61 2.01 -1.26 -3.22 115.64 118.74 1rm3 s THR 52 Ca 0.00 1.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.83 1rm3 s THR 52 Cb 0.00 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1rm3 s THR 52 CO 0.00 0.03 1.80 0.12 -0.69 0.00 0.00 174.62 175.89 1rm3 s PHE 53 N 1.87 2.26 -1.28 4.92 5.36 0.31 -4.89 117.98 126.54 1rm3 s PHE 53 Ca 0.63 0.05 -0.14 0.00 -0.96 0.00 0.00 56.93 56.51 1rm3 s PHE 53 Cb -0.32 -4.16 0.13 0.00 -0.34 0.00 0.00 43.02 38.34 1rm3 s PHE 53 CO 0.27 -4.72 1.70 -3.47 -1.46 0.00 0.00 175.22 167.54 1rm3 n ASP 54 N 5.47 4.98 -3.59 6.13 2.03 -1.26 -4.83 116.55 125.47 1rm3 n ASP 54 Ca 0.17 -2.98 -0.06 0.00 0.52 0.00 0.00 54.79 52.44 1rm3 n ASP 54 Cb 0.38 -1.60 -0.03 0.00 -0.72 0.00 0.00 41.12 39.15 1rm3 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rm3 s ALA 55 N 2.08 -2.01 -0.42 -1.67 0.00 -1.26 -5.12 121.76 113.36 1rm3 s ALA 55 Ca 0.45 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.70 1rm3 s ALA 55 Cb 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1rm3 s ALA 55 CO 0.01 -0.47 1.14 -0.51 0.00 0.00 0.00 175.76 175.93 1rm3 s ASP 56 N -1.75 6.70 -0.10 0.00 1.01 -1.26 -4.89 116.67 116.39 1rm3 s ASP 56 Ca 0.06 0.69 0.04 0.00 0.71 0.00 0.00 52.55 54.05 1rm3 s ASP 56 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1rm3 s ASP 56 CO -0.04 -1.15 -0.23 -0.69 0.21 0.00 0.00 175.17 173.27 1rm3 s VAL 57 N 4.28 1.96 0.23 -1.27 1.01 -1.26 -0.29 120.40 125.06 1rm3 s VAL 57 Ca 0.48 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1rm3 s VAL 57 Cb -0.09 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1rm3 s VAL 57 CO 0.27 0.54 0.58 -1.59 0.00 0.00 0.00 175.10 174.89 1rm3 s LYS 58 N 0.36 1.55 0.44 2.72 -2.85 -0.94 -5.00 119.74 116.02 1rm3 s LYS 58 Ca -0.18 -0.98 -0.13 0.00 -1.00 0.00 0.00 55.97 53.67 1rm3 s LYS 58 Cb -0.18 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 1rm3 s LYS 58 CO 0.08 -0.67 0.86 0.95 0.10 0.00 0.00 175.35 176.67 1rm3 s THR 59 N -3.92 4.67 -0.44 3.79 -4.23 -1.26 -0.60 115.64 113.65 1rm3 s THR 59 Ca 0.13 0.90 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1rm3 s THR 59 Cb -0.03 -3.72 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1rm3 s THR 59 CO 0.03 -0.56 0.24 0.00 -0.54 0.00 0.00 174.62 173.79 1rm3 s ALA 60 N -2.44 2.21 0.00 3.99 0.00 0.21 -4.75 121.76 120.97 1rm3 s ALA 60 Ca 0.55 -2.63 0.00 0.00 0.00 0.00 0.00 51.96 49.88 1rm3 s ALA 60 Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1rm3 s ALA 60 CO 0.30 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1rm3 n GLY 60 N 3.53 -0.27 0.98 0.00 0.00 -1.26 -2.70 105.19 105.46 1rm3 n GLY 60 Ca 0.08 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.14 1rm3 n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rm3 n ASP 61 N -0.56 3.81 0.00 1.61 5.68 -1.26 -4.49 116.55 121.34 1rm3 n ASP 61 Ca 0.00 -2.56 0.00 0.00 -0.50 0.00 0.00 54.79 51.73 1rm3 n ASP 61 Cb 0.00 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 1rm3 n ASP 61 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1rm3 n SER 62 N 0.20 0.47 -3.52 -1.12 3.41 -1.25 -4.87 113.62 106.94 1rm3 n SER 62 Ca 0.19 -0.81 -0.08 0.00 -0.26 0.00 0.00 58.87 57.91 1rm3 n SER 62 Cb 0.75 0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.87 1rm3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rm3 s ALA 63 N -0.18 -0.85 0.21 7.33 0.00 -1.10 -0.57 121.76 126.60 1rm3 s ALA 63 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1rm3 s ALA 63 Cb 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1rm3 s ALA 63 CO 0.00 -0.99 -0.01 0.96 0.00 0.00 0.00 175.76 175.72 1rm3 s ILE 64 N -3.32 0.93 -0.01 0.00 -4.36 -0.66 0.64 121.20 114.42 1rm3 s ILE 64 Ca 0.15 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 1rm3 s ILE 64 Cb -0.05 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.41 1rm3 s ILE 64 CO 0.09 -0.39 -0.08 -0.94 0.24 0.00 0.00 174.94 173.87 1rm3 s SER 65 N -3.26 0.93 -0.27 4.36 1.04 0.23 -0.21 113.70 116.52 1rm3 s SER 65 Ca 0.27 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.58 1rm3 s SER 65 Cb 0.06 -0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.10 1rm3 s SER 65 CO 0.07 0.08 -0.07 -0.69 0.98 0.00 0.00 173.24 173.61 1rm3 s VAL 66 N -0.08 2.05 -1.47 5.02 1.01 -0.07 -2.22 120.40 124.63 1rm3 s VAL 66 Ca 0.02 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 1rm3 s VAL 66 Cb -0.04 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.16 1rm3 s VAL 66 CO -0.00 -0.14 0.90 0.47 0.00 0.00 0.00 175.10 176.32 1rm3 n ASP 67 N 4.45 -3.76 0.00 3.32 8.00 0.60 -1.37 116.55 127.79 1rm3 n ASP 67 Ca -0.11 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1rm3 n ASP 67 Cb 0.42 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1rm3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rm3 n GLY 68 N -1.68 3.10 3.65 0.44 0.00 -1.26 -5.01 105.19 104.43 1rm3 n GLY 68 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1rm3 n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rm3 s LYS 69 N -0.33 4.11 -0.04 1.61 2.20 -0.47 -4.99 119.74 121.83 1rm3 s LYS 69 Ca 0.00 1.36 -0.25 0.00 -0.36 0.00 0.00 55.97 56.73 1rm3 s LYS 69 Cb 0.00 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1rm3 s LYS 69 CO 0.00 -0.85 0.75 0.08 -0.36 0.00 0.00 175.35 174.96 1rm3 s VAL 70 N 3.73 4.98 -0.14 4.02 1.01 -1.26 -0.89 120.40 131.84 1rm3 s VAL 70 Ca 0.51 1.55 0.02 0.00 0.00 0.00 0.00 61.98 64.07 1rm3 s VAL 70 Cb -0.17 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1rm3 s VAL 70 CO 0.16 0.26 -0.22 -0.63 0.00 0.00 0.00 175.10 174.67 1rm3 s ILE 71 N 0.69 2.10 0.43 2.22 1.01 0.70 -4.93 121.20 123.42 1rm3 s ILE 71 Ca 0.40 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 1rm3 s ILE 71 Cb -0.19 -1.84 -0.08 0.00 0.01 0.00 0.00 42.46 40.37 1rm3 s ILE 71 CO 0.20 0.55 1.22 -0.75 0.00 0.00 0.00 174.94 176.16 1rm3 s LYS 72 N 0.80 3.85 -0.11 2.79 2.47 -0.09 -1.65 119.74 127.79 1rm3 s LYS 72 Ca -0.07 1.93 -0.00 0.00 -1.56 0.00 0.00 55.97 56.26 1rm3 s LYS 72 Cb -0.16 -2.57 0.03 0.00 -1.46 0.00 0.00 37.83 33.67 1rm3 s LYS 72 CO -0.02 -0.52 -0.07 0.08 0.16 0.00 0.00 175.35 174.98 1rm3 s VAL 73 N -1.41 1.02 0.42 4.02 1.01 0.26 0.23 120.40 125.94 1rm3 s VAL 73 Ca 0.60 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1rm3 s VAL 73 Cb -0.33 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 1rm3 s VAL 73 CO 0.41 0.36 0.04 0.68 0.00 0.00 0.00 175.10 176.58 1rm3 s VAL 74 N 1.71 2.01 -0.32 2.92 -7.23 0.02 -4.61 120.40 114.89 1rm3 s VAL 74 Ca 0.05 -1.95 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1rm3 s VAL 74 Cb -0.13 -2.96 0.14 0.00 0.56 0.00 0.00 36.38 33.99 1rm3 s VAL 74 CO -0.08 0.00 0.28 -0.55 -0.31 0.00 0.00 175.10 174.44 1rm3 s SER 75 N -3.75 2.03 -0.08 4.85 0.15 -1.26 -2.30 113.70 113.34 1rm3 s SER 75 Ca 0.35 -1.26 -0.03 0.00 0.70 0.00 0.00 55.95 55.70 1rm3 s SER 75 Cb 0.09 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1rm3 s SER 75 CO 0.18 -0.35 0.15 -0.62 1.20 0.00 0.00 173.24 173.80 1rm3 s ASP 76 N 1.89 0.86 0.47 5.45 -1.08 -1.26 -4.99 116.67 118.01 1rm3 s ASP 76 Ca 0.12 0.26 0.21 0.00 -0.52 0.00 0.00 52.55 52.63 1rm3 s ASP 76 Cb -0.16 0.22 1.15 0.00 -1.46 0.00 0.00 42.92 42.67 1rm3 s ASP 76 CO -0.21 -0.25 1.98 0.03 0.52 0.00 0.00 175.17 177.24 1rm3 h ARG 77 N 8.37 0.00 -4.51 4.34 2.47 -1.97 -3.39 114.38 119.69 1rm3 h ARG 77 Ca -0.13 0.00 -0.72 0.00 -1.26 0.00 0.00 59.98 57.87 1rm3 h ARG 77 Cb 1.12 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.23 1rm3 h ARG 77 CO 0.15 0.20 -0.28 1.21 0.56 0.00 0.00 179.97 181.82 1rm3 s ASN 78 N -6.51 6.16 0.48 7.04 3.84 -1.26 -4.97 114.94 119.71 1rm3 s ASN 78 Ca -0.03 -1.11 0.23 0.00 0.21 0.00 0.00 52.86 52.16 1rm3 s ASN 78 Cb 0.14 -2.20 1.26 0.00 -0.55 0.00 0.00 41.25 39.89 1rm3 s ASN 78 CO 0.64 -0.64 1.90 -0.65 -2.79 0.00 0.00 177.10 175.57 1rm3 h PRO 79 N 8.77 0.20 0.00 0.43 0.11 -1.91 -2.01 132.00 137.59 1rm3 h PRO 79 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1rm3 h PRO 79 Cb 1.11 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1rm3 h PRO 79 CO 0.86 0.13 -0.05 -0.39 -0.21 0.00 0.00 178.00 178.34 1rm3 h VAL 80 N 0.21 0.43 -0.05 3.15 -1.51 -1.94 -1.92 116.25 114.62 1rm3 h VAL 80 Ca 0.40 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 1rm3 h VAL 80 Cb 1.24 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1rm3 h VAL 80 CO -0.08 0.04 0.00 0.59 -1.23 0.00 0.00 177.57 176.89 1rm3 n ASN 81 N -3.60 1.43 -4.78 4.19 5.03 -0.75 -4.46 115.26 112.32 1rm3 n ASN 81 Ca -0.02 -1.52 -0.37 0.00 0.87 0.00 0.00 54.58 53.54 1rm3 n ASN 81 Cb 0.15 -0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 38.85 1rm3 n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rm3 s LEU 82 N -1.89 4.12 -0.03 3.41 1.43 -0.72 -4.93 118.68 120.07 1rm3 s LEU 82 Ca 0.37 2.12 -0.01 0.00 -1.03 0.00 0.00 54.13 55.58 1rm3 s LEU 82 Cb 0.20 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1rm3 s LEU 82 CO 0.32 -0.59 2.32 -0.81 0.23 0.00 0.00 176.35 177.82 1rm3 n PRO 83 N -0.13 1.26 -0.04 1.29 -0.04 -1.26 -4.49 135.00 131.58 1rm3 n PRO 83 Ca 0.05 -0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 1rm3 n PRO 83 Cb 0.49 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 1rm3 n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1rm3 h TRP 84 N 1.44 0.26 0.07 0.54 -0.00 -1.91 -1.64 115.95 114.70 1rm3 h TRP 84 Ca 0.06 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1rm3 h TRP 84 Cb 1.09 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 30.19 1rm3 h TRP 84 CO 0.58 0.55 -0.03 0.78 -0.00 0.00 0.00 178.44 180.32 1rm3 h GLY 85 N -0.11 -0.10 1.35 1.49 0.00 -0.61 0.86 103.07 105.95 1rm3 h GLY 85 Ca 0.03 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1rm3 h GLY 85 CO 0.01 -0.03 0.28 -0.55 0.00 0.00 0.00 176.54 176.25 1rm3 h ASP 86 N -0.11 0.23 0.83 0.19 3.32 -1.80 -1.71 116.42 117.38 1rm3 h ASP 86 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1rm3 h ASP 86 Cb 0.09 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1rm3 h ASP 86 CO 0.02 0.15 -0.81 0.24 -1.72 0.00 0.00 179.24 177.12 1rm3 h MET 87 N 0.27 0.00 0.00 3.56 2.86 -0.97 -3.48 114.93 117.16 1rm3 h MET 87 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1rm3 h MET 87 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1rm3 h MET 87 CO -0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.34 1rm3 n GLY 88 N 1.29 0.48 3.68 8.32 0.00 0.20 -4.99 105.19 114.18 1rm3 n GLY 88 Ca 0.02 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.68 1rm3 n GLY 88 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rm3 n ILE 89 N -3.32 0.29 -0.05 -0.61 2.08 -0.63 -4.82 119.36 112.29 1rm3 n ILE 89 Ca 0.00 -0.05 -0.21 0.00 0.56 0.00 0.00 62.75 63.05 1rm3 n ILE 89 Cb 0.23 -1.81 -0.13 0.00 -0.75 0.00 0.00 39.64 37.18 1rm3 n ILE 89 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1rm3 h ASP 90 N 7.71 0.17 -3.67 4.38 3.32 -1.52 -2.76 116.42 124.05 1rm3 h ASP 90 Ca -0.46 -0.73 -0.43 0.00 0.02 0.00 0.00 57.03 55.43 1rm3 h ASP 90 Cb 1.25 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 40.42 1rm3 h ASP 90 CO 0.92 1.53 -0.78 -0.22 -1.72 0.00 0.00 179.24 178.97 1rm3 s LEU 91 N -7.70 1.65 -0.18 1.55 2.96 -0.94 -1.17 118.68 114.84 1rm3 s LEU 91 Ca -0.24 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1rm3 s LEU 91 Cb 0.05 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 1rm3 s LEU 91 CO 0.68 0.03 -0.02 -0.69 -1.32 0.00 0.00 176.35 175.02 1rm3 s VAL 92 N 0.44 3.81 -0.58 1.68 1.01 -0.25 -1.36 120.40 125.16 1rm3 s VAL 92 Ca -0.07 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1rm3 s VAL 92 Cb -0.11 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.64 1rm3 s VAL 92 CO 0.01 0.45 0.79 -0.63 0.00 0.00 0.00 175.10 175.73 1rm3 s ILE 93 N 0.83 4.62 -0.73 2.22 -1.09 0.32 -0.44 121.20 126.93 1rm3 s ILE 93 Ca -0.00 -0.42 -0.23 0.00 -2.23 0.00 0.00 60.65 57.77 1rm3 s ILE 93 Cb -0.14 -4.49 0.07 0.00 -1.58 0.00 0.00 42.46 36.32 1rm3 s ILE 93 CO 0.02 -1.11 1.06 -0.70 -1.23 0.00 0.00 174.94 172.97 1rm3 s GLU 94 N 3.28 3.22 -0.25 2.79 2.56 0.32 -0.73 118.70 129.88 1rm3 s GLU 94 Ca 0.19 -0.91 0.11 0.00 0.00 0.00 0.00 54.97 54.35 1rm3 s GLU 94 Cb -0.18 -4.39 0.45 0.00 2.00 0.00 0.00 34.13 32.01 1rm3 s GLU 94 CO 0.12 -1.88 1.19 0.41 -0.56 0.00 0.00 175.26 174.54 1rm3 n GLY 95 N 5.45 5.37 0.07 -1.50 0.00 -0.03 -1.26 105.19 113.29 1rm3 n GLY 95 Ca 0.03 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.09 1rm3 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rm3 n THR 96 N -0.75 0.38 -0.92 2.61 -2.24 -1.16 -4.62 114.28 107.58 1rm3 n THR 96 Ca 0.32 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1rm3 n THR 96 Cb 0.89 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1rm3 n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rm3 n GLY 97 N 1.24 0.74 0.00 3.38 0.00 -1.26 -4.84 105.19 104.46 1rm3 n GLY 97 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1rm3 n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rm3 n VAL 98 N -2.13 0.00 -3.03 1.61 0.24 -1.26 -4.73 118.33 109.02 1rm3 n VAL 98 Ca 0.00 -0.26 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1rm3 n VAL 98 Cb 0.02 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 1rm3 n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rm3 n PHE 99 N -1.86 3.28 1.03 6.34 3.72 -1.26 -4.80 117.46 123.91 1rm3 n PHE 99 Ca -0.02 -3.44 0.12 0.00 -0.05 0.00 0.00 57.45 54.06 1rm3 n PHE 99 Cb 0.29 -0.82 0.10 0.00 -0.94 0.00 0.00 39.48 38.11 1rm3 n PHE 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1rm3 n VAL 100 N 0.45 0.00 -3.83 -4.37 0.24 -1.26 -3.63 118.33 105.93 1rm3 n VAL 100 Ca 0.33 -0.43 -0.23 0.00 -2.04 0.00 0.00 64.34 61.96 1rm3 n VAL 100 Cb 0.36 1.38 -0.04 0.00 -1.47 0.00 0.00 33.84 34.07 1rm3 n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1rm3 s ASP 101 N -2.11 4.74 0.21 -1.34 -4.77 -1.26 -0.15 116.67 111.98 1rm3 s ASP 101 Ca 0.26 -0.99 -0.10 0.00 -3.30 0.00 0.00 52.55 48.42 1rm3 s ASP 101 Cb 0.20 -0.27 0.16 0.00 -1.09 0.00 0.00 42.92 41.91 1rm3 s ASP 101 CO 0.36 -0.74 1.88 0.03 0.70 0.00 0.00 175.17 177.40 1rm3 h ARG 102 N 1.08 1.00 -0.49 2.11 3.08 -1.93 -0.23 114.38 119.00 1rm3 h ARG 102 Ca -0.41 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 1rm3 h ARG 102 Cb 1.27 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1rm3 h ARG 102 CO 0.61 0.67 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.70 1rm3 h ASP 103 N 1.03 0.83 0.09 7.04 3.32 -1.96 0.16 116.42 126.93 1rm3 h ASP 103 Ca 0.28 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1rm3 h ASP 103 Cb -0.10 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.22 1rm3 h ASP 103 CO -0.06 0.92 -0.04 1.23 -1.72 0.00 0.00 179.24 179.57 1rm3 h GLY 104 N 0.98 -0.12 1.82 2.75 0.00 -1.85 -3.22 103.07 103.42 1rm3 h GLY 104 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1rm3 h GLY 104 CO 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 176.54 176.41 1rm3 h ALA 105 N -0.30 1.54 0.00 3.60 0.00 -1.10 -1.88 119.26 121.11 1rm3 h ALA 105 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rm3 h ALA 105 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rm3 h ALA 105 CO 0.02 0.33 -0.01 0.78 0.00 0.00 0.00 179.25 180.37 1rm3 h GLY 106 N 0.70 0.00 1.96 0.00 0.00 -0.75 -2.11 103.07 102.87 1rm3 h GLY 106 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1rm3 h GLY 106 CO 0.02 0.00 0.02 0.50 0.00 0.00 0.00 176.54 177.08 1rm3 h LYS 107 N 0.00 0.00 -0.07 4.80 1.57 -1.34 0.24 116.57 121.77 1rm3 h LYS 107 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1rm3 h LYS 107 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1rm3 h LYS 107 CO 0.00 0.00 -0.62 0.45 -0.57 0.00 0.00 179.45 178.71 1rm3 h HIS 108 N 0.00 0.34 -0.33 -1.35 3.86 -1.57 -2.04 115.15 114.06 1rm3 h HIS 108 Ca 0.01 -0.13 -0.16 0.00 -1.16 0.00 0.00 60.37 58.93 1rm3 h HIS 108 Cb 0.04 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1rm3 h HIS 108 CO 0.00 0.81 -0.42 -0.07 0.86 0.00 0.00 177.93 179.12 1rm3 h LEU 109 N 0.20 0.90 -1.86 2.43 3.38 -1.14 -0.94 115.31 118.28 1rm3 h LEU 109 Ca -0.01 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1rm3 h LEU 109 Cb 1.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1rm3 h LEU 109 CO 0.10 1.19 -0.13 1.56 0.09 0.00 0.00 178.44 181.25 1rm3 h GLN 110 N 0.68 0.00 -0.00 1.13 4.20 -1.11 -1.45 115.11 118.55 1rm3 h GLN 110 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1rm3 h GLN 110 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1rm3 h GLN 110 CO 0.10 0.13 -0.18 0.00 -0.67 0.00 0.00 178.83 178.21 1rm3 n ALA 111 N -2.38 2.86 0.00 3.87 0.00 -0.78 -4.92 120.51 119.15 1rm3 n ALA 111 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1rm3 n ALA 111 Cb 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1rm3 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm3 n GLY 112 N 1.37 1.05 3.77 0.00 0.00 -0.55 -0.10 105.19 110.74 1rm3 n GLY 112 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1rm3 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm3 s ALA 113 N -2.00 3.16 -0.05 4.61 0.00 -0.40 -3.89 121.76 123.19 1rm3 s ALA 113 Ca 0.00 0.90 0.12 0.00 0.00 0.00 0.00 51.96 52.98 1rm3 s ALA 113 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1rm3 s ALA 113 CO 0.00 -0.43 1.26 0.87 0.00 0.00 0.00 175.76 177.46 1rm3 h LYS 114 N 2.69 0.00 -2.95 0.00 1.57 -1.43 -3.37 116.57 113.08 1rm3 h LYS 114 Ca -0.48 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 1rm3 h LYS 114 Cb 1.23 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.38 1rm3 h LYS 114 CO 0.63 0.65 -0.02 0.21 -0.57 0.00 0.00 179.45 180.34 1rm3 s LYS 115 N -2.84 1.00 -0.05 3.15 2.20 -0.32 -4.86 119.74 118.02 1rm3 s LYS 115 Ca 0.01 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1rm3 s LYS 115 Cb 0.09 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.86 1rm3 s LYS 115 CO 0.79 -0.36 -0.13 0.08 -0.36 0.00 0.00 175.35 175.36 1rm3 s VAL 116 N -2.66 1.15 -0.25 4.02 1.01 0.11 -1.08 120.40 122.68 1rm3 s VAL 116 Ca -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1rm3 s VAL 116 Cb -0.00 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1rm3 s VAL 116 CO -0.04 0.35 -0.12 -0.22 0.00 0.00 0.00 175.10 175.08 1rm3 s LEU 117 N 0.37 3.34 -0.09 3.92 0.20 0.42 -1.15 118.68 125.69 1rm3 s LEU 117 Ca -0.09 -1.32 -0.25 0.00 0.69 0.00 0.00 54.13 53.15 1rm3 s LEU 117 Cb -0.13 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 1rm3 s LEU 117 CO 0.03 -0.17 0.79 -0.63 -0.29 0.00 0.00 176.35 176.08 1rm3 s ILE 118 N 1.12 4.96 -0.17 6.68 1.01 0.43 -0.52 121.20 134.71 1rm3 s ILE 118 Ca -0.08 1.62 -0.02 0.00 0.00 0.00 0.00 60.65 62.17 1rm3 s ILE 118 Cb -0.19 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.18 1rm3 s ILE 118 CO -0.06 0.16 2.47 0.35 0.00 0.00 0.00 174.94 177.86 1rm3 n THR 119 N 4.12 2.67 -3.73 2.92 -2.24 -0.39 -1.75 114.28 115.87 1rm3 n THR 119 Ca 0.02 -1.47 -0.01 0.00 -2.27 0.00 0.00 64.05 60.31 1rm3 n THR 119 Cb 0.50 -1.57 -0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1rm3 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rm3 s ALA 120 N -0.65 -1.92 0.44 6.98 0.00 -1.23 -4.93 121.76 120.45 1rm3 s ALA 120 Ca 0.33 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 1rm3 s ALA 120 Cb 0.20 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.79 1rm3 s ALA 120 CO -0.04 -1.06 1.45 -2.14 0.00 0.00 0.00 175.76 173.98 1rm3 s PRO 121 N -2.74 3.72 0.08 0.00 0.02 -1.24 -3.82 135.00 131.02 1rm3 s PRO 121 Ca 0.15 2.47 -0.14 0.00 0.02 0.00 0.00 61.00 63.50 1rm3 s PRO 121 Cb 0.01 -2.69 -0.06 0.00 0.02 0.00 0.00 34.50 31.78 1rm3 s PRO 121 CO 0.00 -0.81 0.48 0.20 -0.33 0.00 0.00 177.00 176.54 1rm3 s GLY 122 N -0.42 2.47 -0.16 0.52 0.00 -1.26 -4.91 107.32 103.55 1rm3 s GLY 122 Ca 0.60 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.96 1rm3 s GLY 122 CO 0.58 0.12 0.43 1.25 0.00 0.00 0.00 173.10 175.48 1rm3 s LYS 122 N -1.60 4.27 1.19 2.90 2.20 0.78 -4.81 119.74 124.67 1rm3 s LYS 122 Ca 0.32 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1rm3 s LYS 122 Cb -0.16 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1rm3 s LYS 122 CO 0.17 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 1rm3 n GLY 123 N 3.53 -0.06 2.96 5.54 0.00 -1.26 -4.09 105.19 111.81 1rm3 n GLY 123 Ca -0.08 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1rm3 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rm3 n ASP 124 N 0.51 4.64 -4.07 1.61 2.03 -1.26 -4.90 116.55 115.11 1rm3 n ASP 124 Ca 0.00 -2.98 -0.31 0.00 0.52 0.00 0.00 54.79 52.03 1rm3 n ASP 124 Cb 0.00 -1.59 -0.16 0.00 -0.72 0.00 0.00 41.12 38.65 1rm3 n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rm3 s ILE 125 N 1.98 1.74 0.06 5.18 1.01 -1.26 -4.99 121.20 124.91 1rm3 s ILE 125 Ca 0.44 -0.75 -0.34 0.00 0.00 0.00 0.00 60.65 60.00 1rm3 s ILE 125 Cb 0.09 -1.60 -0.14 0.00 0.01 0.00 0.00 42.46 40.83 1rm3 s ILE 125 CO -0.02 0.49 1.65 -2.65 0.00 0.00 0.00 174.94 174.41 1rm3 n PRO 126 N 4.58 2.02 -4.84 2.79 -0.02 -1.26 -4.74 135.00 133.54 1rm3 n PRO 126 Ca -0.19 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 1rm3 n PRO 126 Cb 0.50 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1rm3 n PRO 126 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rm3 s THR 127 N 1.93 2.99 0.07 3.45 2.01 -1.26 -0.82 115.64 124.01 1rm3 s THR 127 Ca 0.84 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1rm3 s THR 127 Cb -0.73 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1rm3 s THR 127 CO 0.44 0.54 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.46 1rm3 s TYR 128 N 0.07 1.24 -0.18 4.92 1.51 -0.14 -4.74 117.35 120.03 1rm3 s TYR 128 Ca -0.06 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1rm3 s TYR 128 Cb -0.15 -0.70 0.05 0.00 -0.11 0.00 0.00 41.96 41.05 1rm3 s TYR 128 CO 0.05 0.06 -0.04 0.08 -1.11 0.00 0.00 175.55 174.58 1rm3 s VAL 129 N -1.22 1.10 0.12 0.71 1.01 -1.26 -4.04 120.40 116.81 1rm3 s VAL 129 Ca -0.01 -0.70 -0.32 0.00 0.00 0.00 0.00 61.98 60.94 1rm3 s VAL 129 Cb -0.10 -1.32 -0.12 0.00 0.00 0.00 0.00 36.38 34.84 1rm3 s VAL 129 CO 0.02 0.06 1.77 0.52 0.00 0.00 0.00 175.10 177.47 1rm3 n VAL 130 N 4.87 0.25 -0.01 2.92 0.31 -1.26 -0.99 118.33 124.41 1rm3 n VAL 130 Ca -0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1rm3 n VAL 130 Cb 0.47 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1rm3 n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rm3 n GLY 131 N 4.03 0.30 0.96 2.92 0.00 -1.26 -4.88 105.19 107.26 1rm3 n GLY 131 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1rm3 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rm3 n VAL 132 N -2.00 0.03 -2.02 1.61 0.31 -0.16 -4.93 118.33 111.16 1rm3 n VAL 132 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1rm3 n VAL 132 Cb 0.00 -1.48 -0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1rm3 n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1rm3 n ASN 133 N -3.01 0.02 0.28 4.52 2.04 -0.91 -4.92 115.26 113.28 1rm3 n ASN 133 Ca -0.01 -1.66 0.14 0.00 -0.44 0.00 0.00 54.58 52.60 1rm3 n ASN 133 Cb 0.51 -0.12 0.84 0.00 -2.53 0.00 0.00 39.78 38.47 1rm3 n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1rm3 h GLU 134 N 0.04 0.00 0.00 -3.83 9.09 -1.93 -0.63 114.58 117.32 1rm3 h GLU 134 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1rm3 h GLU 134 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1rm3 h GLU 134 CO -0.00 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.45 1rm3 n GLU 135 N -4.02 0.12 0.00 1.06 1.02 -1.26 -1.13 120.64 116.43 1rm3 n GLU 135 Ca -0.02 0.49 0.14 0.00 -0.02 0.00 0.00 57.16 57.74 1rm3 n GLU 135 Cb 0.11 -1.80 0.66 0.00 -0.02 0.00 0.00 31.44 30.39 1rm3 n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rm3 n GLY 136 N -0.65 -1.31 3.77 0.62 0.00 -0.24 -4.88 105.19 102.50 1rm3 n GLY 136 Ca 0.01 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1rm3 n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rm3 s TYR 137 N -2.73 2.84 0.01 1.61 5.04 -0.29 -5.04 117.35 118.79 1rm3 s TYR 137 Ca 0.23 1.29 0.02 0.00 -2.44 0.00 0.00 57.07 56.17 1rm3 s TYR 137 Cb 0.20 -3.84 -0.01 0.00 0.35 0.00 0.00 41.96 38.65 1rm3 s TYR 137 CO 0.50 -2.40 -0.08 -0.08 -1.34 0.00 0.00 175.55 172.15 1rm3 s THR 138 N -1.09 0.61 0.62 4.34 -1.32 -1.26 -5.03 115.64 112.51 1rm3 s THR 138 Ca 0.51 -0.53 0.40 0.00 -1.21 0.00 0.00 61.69 60.86 1rm3 s THR 138 Cb -0.43 -0.55 0.42 0.00 -1.51 0.00 0.00 72.50 70.42 1rm3 s THR 138 CO 0.57 0.04 2.32 -0.74 -2.21 0.00 0.00 174.62 174.60 1rm3 h HIS 139 N 5.57 0.00 0.00 9.09 2.76 -1.97 -1.22 115.15 129.39 1rm3 h HIS 139 Ca -0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 1rm3 h HIS 139 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1rm3 h HIS 139 CO 0.47 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.10 1rm3 n ALA 140 N -2.16 1.61 -2.32 5.26 0.00 -1.26 -4.61 120.51 117.04 1rm3 n ALA 140 Ca -0.03 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1rm3 n ALA 140 Cb 0.09 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1rm3 n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rm3 s ASP 141 N -3.70 6.37 0.14 0.00 1.01 -0.46 -4.86 116.67 115.17 1rm3 s ASP 141 Ca 0.05 0.99 0.09 0.00 0.71 0.00 0.00 52.55 54.39 1rm3 s ASP 141 Cb 0.09 -2.54 -0.16 0.00 1.01 0.00 0.00 42.92 41.32 1rm3 s ASP 141 CO 0.32 -1.38 1.27 0.71 0.21 0.00 0.00 175.17 176.30 1rm3 h THR 142 N 6.37 1.50 -3.36 -1.27 1.35 -1.89 -3.44 112.91 112.17 1rm3 h THR 142 Ca -0.28 -3.15 -0.43 0.00 -0.55 0.00 0.00 66.41 61.99 1rm3 h THR 142 Cb 1.11 2.74 -0.36 0.00 -1.73 0.00 0.00 68.15 69.91 1rm3 h THR 142 CO 1.07 0.85 -0.77 -0.63 -0.25 0.00 0.00 175.52 175.79 1rm3 s ILE 143 N -2.75 0.53 0.20 6.82 1.01 -1.26 -0.71 121.20 125.03 1rm3 s ILE 143 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1rm3 s ILE 143 Cb 0.09 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1rm3 s ILE 143 CO 0.81 0.25 -0.04 0.27 0.00 0.00 0.00 174.94 176.23 1rm3 s ILE 144 N 1.39 1.12 -0.00 2.92 -4.36 -0.30 -4.02 121.20 117.95 1rm3 s ILE 144 Ca -0.04 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.37 1rm3 s ILE 144 Cb -0.13 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 1rm3 s ILE 144 CO -0.03 -0.47 -0.21 -0.55 0.24 0.00 0.00 174.94 173.92 1rm3 s SER 145 N -3.26 2.47 -0.13 4.36 0.15 -0.00 -0.43 113.70 116.86 1rm3 s SER 145 Ca 0.24 -0.41 0.18 0.00 0.70 0.00 0.00 55.95 56.66 1rm3 s SER 145 Cb 0.04 -0.26 0.74 0.00 -1.71 0.00 0.00 66.02 64.83 1rm3 s SER 145 CO 0.06 0.24 1.64 -3.20 1.20 0.00 0.00 173.24 173.18 1rm3 n ASN 146 N 2.39 4.87 -0.64 5.45 5.15 -0.72 -0.96 115.26 130.80 1rm3 n ASN 146 Ca -0.16 -2.50 0.00 0.00 -0.60 0.00 0.00 54.58 51.33 1rm3 n ASN 146 Cb 0.53 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1rm3 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rm3 n ALA 147 N 1.09 0.00 -2.00 5.20 0.00 -1.25 -4.78 120.51 118.77 1rm3 n ALA 147 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1rm3 n ALA 147 Cb 0.93 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.40 1rm3 n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rm3 s SER 148 N -4.00 5.52 0.17 0.00 1.04 -1.26 -3.55 113.70 111.62 1rm3 s SER 148 Ca 0.00 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 1rm3 s SER 148 Cb 0.00 -0.62 0.08 0.00 0.10 0.00 0.00 66.02 65.58 1rm3 s SER 148 CO 0.00 -0.90 1.71 0.00 0.98 0.00 0.00 173.24 175.03 1rm3 h THR 150 N 0.87 1.26 -0.19 0.00 2.02 -1.95 -2.03 112.91 112.89 1rm3 h THR 150 Ca 0.20 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1rm3 h THR 150 Cb 0.29 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1rm3 h THR 150 CO -0.01 0.38 -0.26 0.74 0.37 0.00 0.00 175.52 176.75 1rm3 h THR 151 N 0.94 1.25 0.00 3.16 2.02 -1.80 -0.92 112.91 117.56 1rm3 h THR 151 Ca 0.18 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 1rm3 h THR 151 Cb 0.46 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1rm3 h THR 151 CO 0.02 0.37 -0.28 0.78 0.37 0.00 0.00 175.52 176.78 1rm3 h ASN 152 N 0.31 0.00 0.24 4.18 4.21 -0.94 -0.97 115.58 122.61 1rm3 h ASN 152 Ca 0.05 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.21 1rm3 h ASN 152 Cb 0.62 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.85 1rm3 h ASN 152 CO 0.04 0.28 -1.57 0.00 -1.29 0.00 0.00 177.43 174.89 1rm3 h LEU 154 N 0.14 -0.12 -0.58 0.00 5.85 -1.08 -3.39 115.31 116.12 1rm3 h LEU 154 Ca -0.29 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 58.10 1rm3 h LEU 154 Cb 2.16 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 43.10 1rm3 h LEU 154 CO 0.25 0.51 -0.19 0.00 -0.34 0.00 0.00 178.44 178.67 1rm3 h ALA 155 N -0.26 0.29 -0.33 1.25 0.00 -1.39 -1.39 119.26 117.43 1rm3 h ALA 155 Ca -0.01 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1rm3 h ALA 155 Cb 0.56 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1rm3 h ALA 155 CO 0.02 -0.49 -0.27 -1.35 0.00 0.00 0.00 179.25 177.17 1rm3 h PRO 156 N -0.05 -0.23 0.00 0.00 0.11 -1.76 0.83 132.00 130.91 1rm3 h PRO 156 Ca 0.27 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 1rm3 h PRO 156 Cb 0.47 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 1rm3 h PRO 156 CO -0.63 -0.15 -0.19 0.27 -0.21 0.00 0.00 178.00 177.09 1rm3 h PHE 157 N -0.23 0.00 -0.28 0.65 -0.00 -1.71 -3.00 116.94 112.36 1rm3 h PHE 157 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 58.03 1rm3 h PHE 157 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.43 1rm3 h PHE 157 CO -0.46 0.02 -0.25 0.28 -0.00 0.00 0.00 178.31 177.90 1rm3 h VAL 158 N 0.00 1.27 -0.79 0.88 2.07 -0.72 -0.20 116.25 118.76 1rm3 h VAL 158 Ca -0.00 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1rm3 h VAL 158 Cb 1.02 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1rm3 h VAL 158 CO 0.00 0.41 0.41 0.50 0.02 0.00 0.00 177.57 178.91 1rm3 h LYS 159 N 0.48 1.11 -0.25 1.57 3.64 -0.72 0.08 116.57 122.48 1rm3 h LYS 159 Ca 0.07 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1rm3 h LYS 159 Cb 0.69 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1rm3 h LYS 159 CO 0.05 0.84 -0.19 0.28 -2.27 0.00 0.00 179.45 178.16 1rm3 h VAL 160 N 1.10 1.31 -0.77 2.00 2.07 -1.30 -2.26 116.25 118.39 1rm3 h VAL 160 Ca 0.27 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1rm3 h VAL 160 Cb 0.07 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1rm3 h VAL 160 CO -0.04 0.41 0.43 -0.07 0.02 0.00 0.00 177.57 178.32 1rm3 h LEU 161 N 0.30 0.96 -0.31 2.57 3.38 -0.72 -1.46 115.31 120.02 1rm3 h LEU 161 Ca 0.05 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1rm3 h LEU 161 Cb 0.73 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1rm3 h LEU 161 CO 0.05 0.77 -0.05 -0.78 0.09 0.00 0.00 178.44 178.53 1rm3 h ASP 162 N 1.06 0.58 -0.16 -0.43 3.58 -0.95 0.13 116.42 120.23 1rm3 h ASP 162 Ca 0.27 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1rm3 h ASP 162 Cb 0.02 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1rm3 h ASP 162 CO -0.04 0.79 0.05 1.56 -2.88 0.00 0.00 179.24 178.71 1rm3 h GLN 163 N 0.37 0.24 0.09 0.28 4.20 -1.29 -1.18 115.11 117.82 1rm3 h GLN 163 Ca 0.08 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.48 1rm3 h GLN 163 Cb 0.52 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1rm3 h GLN 163 CO 0.03 0.37 -1.20 0.87 -0.67 0.00 0.00 178.83 178.23 1rm3 h LYS 164 N 0.07 0.18 0.00 1.46 1.79 -1.28 -3.41 116.57 115.38 1rm3 h LYS 164 Ca 0.05 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1rm3 h LYS 164 Cb 0.23 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1rm3 h LYS 164 CO -0.00 1.14 -0.53 1.19 -1.08 0.00 0.00 179.45 180.16 1rm3 n PHE 165 N -3.46 0.00 -1.61 -1.35 3.72 0.40 -4.92 117.46 110.24 1rm3 n PHE 165 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1rm3 n PHE 165 Cb 1.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.53 1rm3 n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rm3 n GLY 166 N 1.65 -3.39 3.70 1.37 0.00 -0.44 -1.29 105.19 106.77 1rm3 n GLY 166 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1rm3 n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm3 s ILE 167 N -0.12 4.85 -0.19 -0.61 1.01 -1.26 0.43 121.20 125.31 1rm3 s ILE 167 Ca -0.04 1.94 -0.18 0.00 0.00 0.00 0.00 60.65 62.36 1rm3 s ILE 167 Cb 0.00 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 38.05 1rm3 s ILE 167 CO 0.12 0.08 0.12 0.40 0.00 0.00 0.00 174.94 175.66 1rm3 h ILE 168 N 4.98 0.69 -2.98 2.92 2.04 -1.25 -3.47 117.51 120.43 1rm3 h ILE 168 Ca -0.35 -1.89 0.02 0.00 1.00 0.00 0.00 64.86 63.64 1rm3 h ILE 168 Cb 1.17 1.67 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 1rm3 h ILE 168 CO 0.81 0.23 0.23 -1.59 0.00 0.00 0.00 178.15 177.83 1rm3 s LYS 169 N -2.33 1.48 -0.01 2.37 -2.85 -1.21 -4.84 119.74 112.36 1rm3 s LYS 169 Ca -0.25 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 1rm3 s LYS 169 Cb 0.05 0.59 0.11 0.00 -2.06 0.00 0.00 37.83 36.52 1rm3 s LYS 169 CO 0.50 -0.66 1.12 0.20 0.10 0.00 0.00 175.35 176.61 1rm3 s GLY 170 N -2.82 -0.35 0.06 0.59 0.00 -0.11 -0.51 107.32 104.18 1rm3 s GLY 170 Ca 0.05 0.80 0.02 0.00 0.00 0.00 0.00 44.72 45.59 1rm3 s GLY 170 CO -0.05 0.22 -0.06 -1.08 0.00 0.00 0.00 173.10 172.13 1rm3 s THR 171 N -2.75 0.52 0.03 0.90 -1.32 0.70 -3.16 115.64 110.56 1rm3 s THR 171 Ca 0.11 -1.43 -0.02 0.00 -1.21 0.00 0.00 61.69 59.14 1rm3 s THR 171 Cb 0.01 -1.03 -0.02 0.00 -1.51 0.00 0.00 72.50 69.95 1rm3 s THR 171 CO -0.03 -0.62 0.01 0.00 -2.21 0.00 0.00 174.62 171.76 1rm3 s MET 172 N -2.57 0.45 -0.03 7.08 0.23 0.02 -0.94 119.30 123.53 1rm3 s MET 172 Ca -0.01 -0.76 0.01 0.00 -1.03 0.00 0.00 55.69 53.89 1rm3 s MET 172 Cb -0.03 0.17 0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1rm3 s MET 172 CO -0.03 -0.09 -0.02 0.99 -2.03 0.00 0.00 175.02 173.85 1rm3 s THR 173 N -2.25 0.29 -0.21 3.16 2.01 -0.31 -1.42 115.64 116.91 1rm3 s THR 173 Ca -0.08 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 1rm3 s THR 173 Cb -0.04 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1rm3 s THR 173 CO -0.04 0.16 -0.06 0.28 -0.69 0.00 0.00 174.62 174.28 1rm3 s THR 174 N 0.87 3.28 -0.52 -0.82 -1.32 -0.84 0.06 115.64 116.36 1rm3 s THR 174 Ca -0.10 -0.53 -0.22 0.00 -1.21 0.00 0.00 61.69 59.64 1rm3 s THR 174 Cb -0.13 -2.48 0.05 0.00 -1.51 0.00 0.00 72.50 68.43 1rm3 s THR 174 CO -0.01 0.44 0.78 -0.89 -2.21 0.00 0.00 174.62 172.73 1rm3 s THR 175 N 1.34 4.64 -0.05 5.08 2.01 0.15 -0.37 115.64 128.43 1rm3 s THR 175 Ca 0.04 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1rm3 s THR 175 Cb -0.14 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 1rm3 s THR 175 CO -0.03 -0.92 -0.12 -2.28 -0.69 0.00 0.00 174.62 170.58 1rm3 s HIS 176 N 3.28 2.78 0.83 4.92 5.04 0.32 -1.12 115.29 131.34 1rm3 s HIS 176 Ca 0.23 -0.10 -0.11 0.00 -1.54 0.00 0.00 55.06 53.54 1rm3 s HIS 176 Cb -0.15 -1.65 0.09 0.00 0.04 0.00 0.00 32.58 30.91 1rm3 s HIS 176 CO 0.16 0.24 1.14 -1.12 -2.34 0.00 0.00 174.74 172.83 1rm3 s SER 177 N -0.79 3.71 0.68 9.88 0.01 -1.24 -0.33 113.70 125.62 1rm3 s SER 177 Ca 0.12 2.11 -0.11 0.00 1.31 0.00 0.00 55.95 59.38 1rm3 s SER 177 Cb -0.11 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 1rm3 s SER 177 CO 0.01 -2.57 1.05 -0.72 0.41 0.00 0.00 173.24 171.42 1rm3 s TYR 178 N -2.58 3.19 0.28 2.43 -0.85 -0.48 -4.69 117.35 114.66 1rm3 s TYR 178 Ca 0.67 1.41 0.02 0.00 -0.52 0.00 0.00 57.07 58.64 1rm3 s TYR 178 Cb -0.22 -2.86 -0.05 0.00 0.38 0.00 0.00 41.96 39.20 1rm3 s TYR 178 CO 0.54 -1.13 0.08 0.95 -1.52 0.00 0.00 175.55 174.47 1rm3 s THR 179 N -3.03 0.75 -0.32 -3.49 -4.23 -1.26 -4.71 115.64 99.35 1rm3 s THR 179 Ca 0.58 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.23 1rm3 s THR 179 Cb -0.14 -2.67 0.14 0.00 1.34 0.00 0.00 72.50 71.18 1rm3 s THR 179 CO 0.54 -0.01 1.40 0.61 -0.54 0.00 0.00 174.62 176.62 1rm3 n GLY 180 N -0.52 -0.70 0.10 3.99 0.00 -1.26 -1.32 105.19 105.47 1rm3 n GLY 180 Ca -0.01 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1rm3 n GLY 180 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rm3 n ASP 181 N -2.01 0.66 -4.90 1.61 2.03 -1.26 -4.81 116.55 107.88 1rm3 n ASP 181 Ca -0.01 0.60 -0.23 0.00 0.52 0.00 0.00 54.79 55.67 1rm3 n ASP 181 Cb 0.10 -0.76 0.06 0.00 -0.72 0.00 0.00 41.12 39.80 1rm3 n ASP 181 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1rm3 s GLN 182 N -3.16 2.29 -0.09 -0.67 -0.21 -0.44 -4.97 119.66 112.40 1rm3 s GLN 182 Ca 0.09 -0.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.70 1rm3 s GLN 182 Cb 0.12 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1rm3 s GLN 182 CO 0.51 -0.99 0.12 1.03 -2.12 0.00 0.00 175.29 173.84 1rm3 s ARG 183 N -4.96 3.34 0.14 2.91 1.81 -1.12 -4.99 118.95 116.09 1rm3 s ARG 183 Ca 0.60 -0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.26 1rm3 s ARG 183 Cb -0.09 -3.09 -0.00 0.00 -0.45 0.00 0.00 34.95 31.31 1rm3 s ARG 183 CO 0.41 0.75 1.56 1.25 -0.68 0.00 0.00 175.30 178.58 1rm3 h LEU 184 N 4.80 0.88 -8.27 2.53 5.85 -1.92 0.27 115.31 119.45 1rm3 h LEU 184 Ca -0.53 -0.36 -0.33 0.00 0.84 0.00 0.00 57.88 57.51 1rm3 h LEU 184 Cb 1.22 -0.24 -0.21 0.00 0.37 0.00 0.00 40.66 41.79 1rm3 h LEU 184 CO 0.59 1.03 -0.75 -0.76 -0.34 0.00 0.00 178.44 178.22 1rm3 s LEU 185 N -9.24 2.27 -0.44 2.25 1.43 -1.26 -3.83 118.68 109.86 1rm3 s LEU 185 Ca -0.12 -0.59 -0.40 0.00 -1.03 0.00 0.00 54.13 51.98 1rm3 s LEU 185 Cb 0.11 -0.30 -0.17 0.00 0.03 0.00 0.00 46.19 45.86 1rm3 s LEU 185 CO 0.84 -0.16 1.57 0.47 0.23 0.00 0.00 176.35 179.29 1rm3 n ASP 186 N 1.33 0.92 -3.82 2.29 9.92 -1.25 -4.54 116.55 121.39 1rm3 n ASP 186 Ca -0.22 0.88 -0.09 0.00 -0.53 0.00 0.00 54.79 54.84 1rm3 n ASP 186 Cb 0.55 -0.78 -0.04 0.00 -0.64 0.00 0.00 41.12 40.21 1rm3 n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rm3 s ALA 187 N 3.56 -0.76 0.28 2.24 0.00 -0.22 -4.95 121.76 121.90 1rm3 s ALA 187 Ca 0.97 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1rm3 s ALA 187 Cb -1.31 0.89 -0.13 0.00 0.00 0.00 0.00 23.12 22.56 1rm3 s ALA 187 CO 0.67 -0.83 1.23 0.43 0.00 0.00 0.00 175.76 177.26 1rm3 n SER 188 N -0.35 2.19 -3.63 0.00 7.64 -1.26 -4.52 113.62 113.68 1rm3 n SER 188 Ca -0.08 1.17 -0.11 0.00 1.01 0.00 0.00 58.87 60.87 1rm3 n SER 188 Cb 0.62 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.37 1rm3 n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1rm3 s HIS 190 N -0.67 -0.56 0.39 1.43 5.04 -1.26 -4.92 115.29 114.73 1rm3 s HIS 190 Ca 0.62 1.37 0.07 0.00 -1.54 0.00 0.00 55.06 55.58 1rm3 s HIS 190 Cb -0.66 0.34 0.82 0.00 0.04 0.00 0.00 32.58 33.12 1rm3 s HIS 190 CO 0.57 -0.28 2.01 0.07 -2.34 0.00 0.00 174.74 174.77 1rm3 h ARG 191 N 4.37 0.61 -5.45 2.88 0.11 -1.98 -3.35 114.38 111.57 1rm3 h ARG 191 Ca -0.28 -0.04 -0.64 0.00 0.10 0.00 0.00 59.98 59.12 1rm3 h ARG 191 Cb 1.17 -0.14 -0.14 0.00 1.11 0.00 0.00 29.97 31.97 1rm3 h ARG 191 CO 0.10 0.41 0.13 0.34 0.10 0.00 0.00 179.97 181.04 1rm3 s ASP 192 N -6.44 6.38 0.42 0.08 -1.08 -1.26 -4.94 116.67 109.84 1rm3 s ASP 192 Ca -0.09 -0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.21 1rm3 s ASP 192 Cb 0.18 -2.32 1.43 0.00 -1.46 0.00 0.00 42.92 40.75 1rm3 s ASP 192 CO 0.75 -0.65 1.89 -0.07 0.52 0.00 0.00 175.17 177.61 1rm3 h LEU 193 N 9.48 0.00 0.09 -1.34 3.38 -1.99 -2.12 115.31 122.81 1rm3 h LEU 193 Ca -0.26 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 1rm3 h LEU 193 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1rm3 h LEU 193 CO 0.85 0.00 -1.46 0.03 0.09 0.00 0.00 178.44 177.96 1rm3 h ARG 194 N 0.00 0.20 0.00 1.13 3.08 -1.92 -3.30 114.38 113.57 1rm3 h ARG 194 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1rm3 h ARG 194 Cb 0.21 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1rm3 h ARG 194 CO 0.00 1.16 0.00 0.54 -1.07 0.00 0.00 179.97 180.60 1rm3 n ARG 195 N -3.95 0.01 0.23 0.04 1.74 -1.01 -1.66 116.66 112.06 1rm3 n ARG 195 Ca -0.27 0.32 0.15 0.00 -0.77 0.00 0.00 57.85 57.28 1rm3 n ARG 195 Cb 0.88 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 31.28 1rm3 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rm3 h ALA 196 N 2.35 1.00 -2.63 7.54 0.00 -1.47 -2.97 119.26 123.08 1rm3 h ALA 196 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1rm3 h ALA 196 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1rm3 h ALA 196 CO 0.00 0.00 0.17 1.03 0.00 0.00 0.00 179.25 180.45 1rm3 s ARG 197 N -3.43 4.45 -0.48 0.00 1.81 -0.66 -1.05 118.95 119.58 1rm3 s ARG 197 Ca 0.04 1.06 -0.28 0.00 -1.72 0.00 0.00 55.73 54.83 1rm3 s ARG 197 Cb 0.08 -3.08 -0.14 0.00 -0.45 0.00 0.00 34.95 31.36 1rm3 s ARG 197 CO 0.58 0.48 1.67 0.00 -0.68 0.00 0.00 175.30 177.35 1rm3 n ALA 198 N 1.18 0.17 -0.03 2.13 0.00 -1.26 -4.48 120.51 118.22 1rm3 n ALA 198 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1rm3 n ALA 198 Cb 0.50 -1.53 0.38 0.00 0.00 0.00 0.00 19.45 18.79 1rm3 n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rm3 h ALA 199 N 7.16 1.63 -0.21 0.00 0.00 -1.04 -2.59 119.26 124.22 1rm3 h ALA 199 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rm3 h ALA 199 Cb 0.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rm3 h ALA 199 CO 0.85 0.33 0.00 0.00 0.00 0.00 0.00 179.25 180.43 1rm3 n LEU 201 N 0.37 0.37 -4.21 0.00 4.77 -0.98 -4.80 117.00 112.52 1rm3 n LEU 201 Ca 0.15 -0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 55.45 1rm3 n LEU 201 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1rm3 n LEU 201 CO 0.12 0.09 -0.32 0.20 -1.33 0.00 0.00 177.39 176.14 1rm3 s ASN 202 N -1.37 0.94 -0.32 -1.43 0.01 -1.18 -5.07 114.94 106.54 1rm3 s ASN 202 Ca 0.02 -1.18 -0.13 0.00 -0.71 0.00 0.00 52.86 50.86 1rm3 s ASN 202 Cb 0.04 0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 1rm3 s ASN 202 CO 0.19 -0.62 0.28 -0.63 -1.51 0.00 0.00 177.10 174.82 1rm3 s ILE 203 N -3.77 5.24 -0.37 0.60 1.01 -1.26 -4.10 121.20 118.55 1rm3 s ILE 203 Ca 0.24 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 1rm3 s ILE 203 Cb 0.07 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.92 1rm3 s ILE 203 CO 0.03 0.05 0.13 -0.69 0.00 0.00 0.00 174.94 174.46 1rm3 s VAL 204 N 1.87 3.19 0.49 2.92 1.01 0.17 -4.93 120.40 125.13 1rm3 s VAL 204 Ca 0.09 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.05 1rm3 s VAL 204 Cb -0.17 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1rm3 s VAL 204 CO 0.11 -0.48 1.19 -2.84 0.00 0.00 0.00 175.10 173.08 1rm3 s PRO 205 N 1.18 3.57 -0.02 2.72 0.02 -1.26 -0.67 135.00 140.55 1rm3 s PRO 205 Ca 0.04 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 1rm3 s PRO 205 Cb -0.21 -2.31 0.07 0.00 0.02 0.00 0.00 34.50 32.07 1rm3 s PRO 205 CO -0.03 -0.72 0.68 -0.08 -0.33 0.00 0.00 177.00 176.53 1rm3 s THR 206 N -1.54 0.00 0.79 0.99 -1.32 -0.20 -4.67 115.64 109.68 1rm3 s THR 206 Ca 0.67 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.04 1rm3 s THR 206 Cb -0.30 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.76 1rm3 s THR 206 CO 0.35 0.00 1.09 -0.44 -2.21 0.00 0.00 174.62 173.42 1rm3 s SER 207 N -1.47 4.39 -0.06 8.08 0.01 -1.26 -1.01 113.70 122.39 1rm3 s SER 207 Ca -0.08 1.79 -0.09 0.00 1.31 0.00 0.00 55.95 58.88 1rm3 s SER 207 Cb -0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1rm3 s SER 207 CO 0.06 -2.10 0.22 0.28 0.41 0.00 0.00 173.24 172.11 1rm3 s THR 208 N -2.91 0.03 -2.80 1.44 -1.32 -1.26 -4.66 115.64 104.17 1rm3 s THR 208 Ca 0.61 -0.23 0.23 0.00 -1.21 0.00 0.00 61.69 61.09 1rm3 s THR 208 Cb -0.17 -0.40 0.16 0.00 -1.51 0.00 0.00 72.50 70.59 1rm3 s THR 208 CO 0.56 -0.13 1.21 0.61 -2.21 0.00 0.00 174.62 174.67 1rm3 n GLY 209 N 2.36 0.82 0.32 6.08 0.00 -1.26 -4.58 105.19 108.93 1rm3 n GLY 209 Ca -0.16 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.26 1rm3 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm3 h ALA 210 N 4.45 1.31 -0.54 4.61 0.00 -1.96 0.39 119.26 127.52 1rm3 h ALA 210 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1rm3 h ALA 210 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rm3 h ALA 210 CO 0.00 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.43 1rm3 h ALA 211 N 1.53 0.71 -0.08 0.00 0.00 -1.90 -2.10 119.26 117.41 1rm3 h ALA 211 Ca 0.45 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1rm3 h ALA 211 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rm3 h ALA 211 CO -0.31 0.38 -0.79 0.87 0.00 0.00 0.00 179.25 179.41 1rm3 h LYS 212 N 0.75 0.52 -0.03 0.00 1.57 -1.60 -3.08 116.57 114.69 1rm3 h LYS 212 Ca 0.17 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1rm3 h LYS 212 Cb 0.31 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1rm3 h LYS 212 CO -0.00 1.08 0.03 0.00 -0.57 0.00 0.00 179.45 179.98 1rm3 h ALA 213 N 0.79 1.81 -0.65 3.86 0.00 -0.04 -1.40 119.26 123.64 1rm3 h ALA 213 Ca -0.05 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1rm3 h ALA 213 Cb 1.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1rm3 h ALA 213 CO 0.14 -0.04 0.43 0.28 0.00 0.00 0.00 179.25 180.06 1rm3 h VAL 214 N 0.00 1.06 0.00 0.00 2.07 -1.28 -0.22 116.25 117.87 1rm3 h VAL 214 Ca 0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1rm3 h VAL 214 Cb 0.07 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1rm3 h VAL 214 CO -0.00 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 177.65 1rm3 h ALA 215 N 1.63 1.09 -0.57 1.67 0.00 -1.41 0.71 119.26 122.38 1rm3 h ALA 215 Ca 0.27 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1rm3 h ALA 215 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1rm3 h ALA 215 CO -0.08 0.09 0.01 -0.07 0.00 0.00 0.00 179.25 179.20 1rm3 h LEU 216 N 0.00 0.95 0.00 0.00 3.38 -1.13 -2.49 115.31 116.02 1rm3 h LEU 216 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1rm3 h LEU 216 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rm3 h LEU 216 CO 0.01 1.00 -1.09 1.33 0.09 0.00 0.00 178.44 179.78 1rm3 n VAL 217 N -4.19 0.02 -3.38 1.22 0.24 -0.87 -4.56 118.33 106.81 1rm3 n VAL 217 Ca 0.03 -0.09 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 1rm3 n VAL 217 Cb 0.33 0.73 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 1rm3 n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rm3 n LEU 218 N -1.64 -0.07 -0.47 1.34 4.77 0.19 -4.58 117.00 116.53 1rm3 n LEU 218 Ca 0.03 -4.51 0.41 0.00 -0.03 0.00 0.00 56.01 51.91 1rm3 n LEU 218 Cb 0.37 0.47 0.74 0.00 -2.33 0.00 0.00 43.42 42.67 1rm3 n LEU 218 CO 0.42 1.90 1.36 -0.65 -1.33 0.00 0.00 177.39 179.10 1rm3 h PRO 219 N 5.23 0.05 0.00 3.23 0.11 -1.69 0.12 132.00 139.05 1rm3 h PRO 219 Ca 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1rm3 h PRO 219 Cb 0.89 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1rm3 h PRO 219 CO 0.42 0.03 0.00 -0.97 -0.21 0.00 0.00 178.00 177.27 1rm3 h ASN 220 N 0.05 0.00 -0.37 -2.05 -1.24 -1.95 -1.91 115.58 108.12 1rm3 h ASN 220 Ca 0.73 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.74 1rm3 h ASN 220 Cb 2.76 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.81 1rm3 h ASN 220 CO -0.10 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.22 1rm3 n LEU 221 N -2.98 2.44 -4.68 0.34 7.99 0.42 -4.93 117.00 115.60 1rm3 n LEU 221 Ca -0.02 -1.14 -0.46 0.00 -0.01 0.00 0.00 56.01 54.39 1rm3 n LEU 221 Cb 0.15 -0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 43.17 1rm3 n LEU 221 CO 0.21 0.57 1.25 1.17 -1.51 0.00 0.00 177.39 179.08 1rm3 n LYS 222 N 0.83 2.23 -0.88 3.23 4.81 -0.72 -1.54 118.16 126.11 1rm3 n LYS 222 Ca 0.17 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1rm3 n LYS 222 Cb 0.42 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1rm3 n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rm3 n GLY 223 N 3.59 0.35 0.02 3.14 0.00 -1.26 -4.86 105.19 106.17 1rm3 n GLY 223 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1rm3 n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rm3 n LYS 224 N -1.42 0.44 -4.27 1.61 5.02 -0.59 -5.01 118.16 113.95 1rm3 n LYS 224 Ca 0.00 -0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 1rm3 n LYS 224 Cb 0.14 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 1rm3 n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rm3 s LEU 225 N -4.18 2.47 0.16 -0.35 1.02 -1.26 -0.94 118.68 115.61 1rm3 s LEU 225 Ca -0.01 -1.05 -0.24 0.00 0.02 0.00 0.00 54.13 52.84 1rm3 s LEU 225 Cb 0.14 -0.35 0.07 0.00 0.02 0.00 0.00 46.19 46.06 1rm3 s LEU 225 CO 0.86 -0.36 0.98 0.21 0.02 0.00 0.00 176.35 178.07 1rm3 s ASN 226 N -3.21 -0.13 0.00 2.29 3.84 -1.19 -4.35 114.94 112.19 1rm3 s ASN 226 Ca 0.19 -0.48 0.00 0.00 0.21 0.00 0.00 52.86 52.79 1rm3 s ASN 226 Cb 0.03 0.50 0.00 0.00 -0.55 0.00 0.00 41.25 41.23 1rm3 s ASN 226 CO 0.03 -0.93 0.00 0.61 -2.79 0.00 0.00 177.10 174.01 1rm3 n GLY 227 N -0.52 0.53 3.43 1.21 0.00 -1.26 -0.80 105.19 107.79 1rm3 n GLY 227 Ca -0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1rm3 n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rm3 s ILE 228 N -2.01 0.00 0.05 -0.61 -4.36 -0.51 -4.50 121.20 109.27 1rm3 s ILE 228 Ca 0.00 -1.67 0.07 0.00 -0.26 0.00 0.00 60.65 58.79 1rm3 s ILE 228 Cb 0.00 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 1rm3 s ILE 228 CO 0.00 0.00 -0.21 0.00 0.24 0.00 0.00 174.94 174.97 1rm3 s ALA 229 N -3.62 1.78 -0.30 2.27 0.00 -0.18 -1.98 121.76 119.74 1rm3 s ALA 229 Ca 0.31 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1rm3 s ALA 229 Cb 0.01 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 22.89 1rm3 s ALA 229 CO 0.16 0.39 0.01 -0.51 0.00 0.00 0.00 175.76 175.82 1rm3 s LEU 230 N -1.29 3.49 0.04 0.00 1.43 0.50 -1.03 118.68 121.82 1rm3 s LEU 230 Ca 0.07 -1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 51.18 1rm3 s LEU 230 Cb -0.09 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1rm3 s LEU 230 CO 0.02 -0.33 0.99 -0.13 0.23 0.00 0.00 176.35 177.14 1rm3 s ARG 231 N 1.21 4.59 0.25 1.70 1.81 0.15 -0.52 118.95 128.15 1rm3 s ARG 231 Ca 0.04 1.46 0.05 0.00 -1.72 0.00 0.00 55.73 55.56 1rm3 s ARG 231 Cb -0.19 -3.43 -0.05 0.00 -0.45 0.00 0.00 34.95 30.83 1rm3 s ARG 231 CO -0.11 0.01 -0.04 0.14 -0.68 0.00 0.00 175.30 174.62 1rm3 s VAL 232 N 0.70 1.41 0.00 3.52 -7.23 0.55 0.46 120.40 119.81 1rm3 s VAL 232 Ca 0.51 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1rm3 s VAL 232 Cb -0.22 -2.37 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 1rm3 s VAL 232 CO 0.29 -0.34 1.49 -2.65 -0.31 0.00 0.00 175.10 173.58 1rm3 n PRO 233 N -0.50 0.64 -4.82 4.82 -0.02 -1.26 -2.92 135.00 130.95 1rm3 n PRO 233 Ca -0.06 -0.31 -0.27 0.00 -2.02 0.00 0.00 63.50 60.84 1rm3 n PRO 233 Cb 0.63 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 1rm3 n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rm3 s THR 234 N 2.31 1.76 -0.14 3.45 -4.23 -1.26 -5.00 115.64 112.53 1rm3 s THR 234 Ca 0.21 -1.15 0.25 0.00 -1.18 0.00 0.00 61.69 59.83 1rm3 s THR 234 Cb 0.10 -1.51 0.30 0.00 1.34 0.00 0.00 72.50 72.73 1rm3 s THR 234 CO 0.00 0.32 1.73 1.55 -0.54 0.00 0.00 174.62 177.69 1rm3 h PRO 235 N 5.08 0.00 -2.04 3.99 0.13 -1.87 -1.27 132.00 136.02 1rm3 h PRO 235 Ca -0.42 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1rm3 h PRO 235 Cb 1.15 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 1rm3 h PRO 235 CO 0.45 0.11 0.44 1.21 -0.23 0.00 0.00 178.00 179.97 1rm3 s ASN 236 N -6.09 -0.43 0.00 1.44 2.47 -1.26 -4.65 114.94 106.42 1rm3 s ASN 236 Ca 0.04 0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.58 1rm3 s ASN 236 Cb 0.07 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.27 1rm3 s ASN 236 CO 0.64 -0.55 0.00 0.52 -3.72 0.00 0.00 177.10 173.99 1rm3 n VAL 237 N 0.28 -0.59 -4.31 -5.21 0.31 -1.26 -4.88 118.33 102.67 1rm3 n VAL 237 Ca -0.12 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.03 1rm3 n VAL 237 Cb 0.60 -0.43 -0.09 0.00 -0.91 0.00 0.00 33.84 33.01 1rm3 n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rm3 s SER 238 N -0.75 1.53 -0.12 4.52 0.01 0.01 -3.67 113.70 115.23 1rm3 s SER 238 Ca 0.00 -1.64 -0.10 0.00 1.31 0.00 0.00 55.95 55.52 1rm3 s SER 238 Cb 0.00 0.48 0.03 0.00 0.21 0.00 0.00 66.02 66.74 1rm3 s SER 238 CO 0.00 -0.97 0.31 0.54 0.41 0.00 0.00 173.24 173.53 1rm3 s VAL 239 N -3.57 -0.01 -0.11 3.43 0.11 -0.27 -1.64 120.40 118.34 1rm3 s VAL 239 Ca 0.37 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.39 1rm3 s VAL 239 Cb 0.04 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1rm3 s VAL 239 CO 0.21 0.01 0.09 -0.69 -3.33 0.00 0.00 175.10 171.39 1rm3 s VAL 240 N 0.35 5.04 -0.34 2.04 1.01 0.32 -0.67 120.40 128.15 1rm3 s VAL 240 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1rm3 s VAL 240 Cb -0.03 -3.18 0.09 0.00 0.00 0.00 0.00 36.38 33.26 1rm3 s VAL 240 CO -0.01 0.61 0.05 -0.62 0.00 0.00 0.00 175.10 175.13 1rm3 s ASP 241 N -0.91 4.82 -0.14 3.32 -1.08 0.11 -1.37 116.67 121.41 1rm3 s ASP 241 Ca 0.14 -1.99 -0.05 0.00 -0.52 0.00 0.00 52.55 50.13 1rm3 s ASP 241 Cb -0.12 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.65 1rm3 s ASP 241 CO 0.03 -0.38 0.02 -0.22 0.52 0.00 0.00 175.17 175.15 1rm3 s LEU 242 N 0.98 3.64 -0.18 -1.34 2.96 -0.11 -1.16 118.68 123.47 1rm3 s LEU 242 Ca 0.07 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1rm3 s LEU 242 Cb -0.20 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.65 1rm3 s LEU 242 CO -0.07 0.24 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.43 1rm3 s VAL 243 N -0.07 1.47 0.06 1.68 1.01 -0.12 -0.62 120.40 123.81 1rm3 s VAL 243 Ca 0.05 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1rm3 s VAL 243 Cb -0.12 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1rm3 s VAL 243 CO 0.02 0.19 -0.15 0.68 0.00 0.00 0.00 175.10 175.83 1rm3 s VAL 244 N 1.48 1.23 -0.18 2.92 -7.23 -0.33 -0.21 120.40 118.07 1rm3 s VAL 244 Ca 0.00 -1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 58.83 1rm3 s VAL 244 Cb -0.16 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 1rm3 s VAL 244 CO -0.08 -0.08 0.26 -1.58 -0.31 0.00 0.00 175.10 173.30 1rm3 s GLN 245 N -1.49 4.23 0.29 4.82 0.74 0.33 -0.53 119.66 128.05 1rm3 s GLN 245 Ca 0.01 0.01 0.09 0.00 0.05 0.00 0.00 55.36 55.52 1rm3 s GLN 245 Cb -0.09 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 1rm3 s GLN 245 CO 0.02 0.21 0.06 0.14 -0.55 0.00 0.00 175.29 175.17 1rm3 s VAL 246 N 0.57 3.34 0.06 1.34 -7.23 0.41 -0.72 120.40 118.17 1rm3 s VAL 246 Ca 0.14 -1.81 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 1rm3 s VAL 246 Cb -0.13 -2.93 -0.21 0.00 0.56 0.00 0.00 36.38 33.67 1rm3 s VAL 246 CO 0.03 -0.30 1.20 -1.28 -0.31 0.00 0.00 175.10 174.44 1rm3 h SER 247 N 1.74 0.80 -3.58 4.85 0.87 0.80 -3.44 113.55 115.59 1rm3 h SER 247 Ca -0.44 -0.71 -0.61 0.00 -1.23 0.00 0.00 61.79 58.80 1rm3 h SER 247 Cb 1.25 -0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 62.84 1rm3 h SER 247 CO 0.62 1.40 -0.20 -0.75 -0.53 0.00 0.00 176.83 177.36 1rm3 s LYS 248 N -3.43 4.10 0.54 2.24 2.20 -0.42 -5.05 119.74 119.94 1rm3 s LYS 248 Ca -0.11 0.14 -0.21 0.00 -0.36 0.00 0.00 55.97 55.43 1rm3 s LYS 248 Cb 0.06 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 1rm3 s LYS 248 CO 0.88 -0.16 1.19 1.63 -0.36 0.00 0.00 175.35 178.54 1rm3 n LYS 249 N 4.89 1.41 -0.82 4.03 5.02 -1.26 -4.87 118.16 126.56 1rm3 n LYS 249 Ca -0.08 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1rm3 n LYS 249 Cb 0.51 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1rm3 n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1rm3 n THR 250 N -1.15 0.00 -3.78 -0.18 5.66 -0.15 -5.03 114.28 109.66 1rm3 n THR 250 Ca 0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.01 1rm3 n THR 250 Cb 0.44 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.16 1rm3 n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rm3 s PHE 251 N -7.53 0.01 0.19 1.09 -0.71 -1.26 -4.66 117.98 105.10 1rm3 s PHE 251 Ca 0.00 -0.32 -0.21 0.00 -1.04 0.00 0.00 56.93 55.36 1rm3 s PHE 251 Cb 0.00 0.05 0.12 0.00 -1.21 0.00 0.00 43.02 41.98 1rm3 s PHE 251 CO 0.00 -0.56 1.58 0.00 -1.34 0.00 0.00 175.22 174.91 1rm3 h ALA 252 N 2.84 -0.05 0.00 1.99 0.00 -1.88 -1.12 119.26 121.04 1rm3 h ALA 252 Ca -0.33 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1rm3 h ALA 252 Cb 1.21 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1rm3 h ALA 252 CO 0.51 -0.68 -0.18 0.93 0.00 0.00 0.00 179.25 179.82 1rm3 h GLU 253 N -0.16 0.00 -0.27 0.00 4.39 -1.95 -0.46 114.58 116.13 1rm3 h GLU 253 Ca 0.23 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.75 1rm3 h GLU 253 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1rm3 h GLU 253 CO -0.69 0.18 -0.55 1.49 -1.16 0.00 0.00 179.01 178.28 1rm3 h GLU 254 N 0.00 0.82 -0.24 2.33 4.81 -1.66 -1.49 114.58 119.15 1rm3 h GLU 254 Ca -0.00 -0.52 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1rm3 h GLU 254 Cb 0.39 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1rm3 h GLU 254 CO 0.02 1.15 0.09 0.28 -0.73 0.00 0.00 179.01 179.83 1rm3 h VAL 255 N 0.63 1.18 -0.82 0.32 2.07 -0.65 -1.78 116.25 117.20 1rm3 h VAL 255 Ca 0.01 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1rm3 h VAL 255 Cb 1.15 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 1rm3 h VAL 255 CO 0.12 0.18 0.49 0.78 0.02 0.00 0.00 177.57 179.16 1rm3 h ASN 256 N 0.24 0.74 -0.62 0.57 -0.26 -1.01 -1.67 115.58 113.56 1rm3 h ASN 256 Ca 0.08 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 1rm3 h ASN 256 Cb 0.20 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1rm3 h ASN 256 CO -0.00 0.45 0.12 0.00 -1.06 0.00 0.00 177.43 176.94 1rm3 h ALA 257 N 1.42 1.01 -0.87 -0.83 0.00 -0.97 -1.70 119.26 117.31 1rm3 h ALA 257 Ca 0.38 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rm3 h ALA 257 Cb 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1rm3 h ALA 257 CO -0.20 0.64 0.58 0.00 0.00 0.00 0.00 179.25 180.26 1rm3 h ALA 258 N 1.15 1.11 -0.71 0.00 0.00 -0.45 -1.09 119.26 119.27 1rm3 h ALA 258 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1rm3 h ALA 258 Cb 0.39 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1rm3 h ALA 258 CO 0.01 0.50 0.20 0.74 0.00 0.00 0.00 179.25 180.70 1rm3 h PHE 259 N 1.18 1.16 -0.63 0.00 0.04 -0.78 -2.75 116.94 115.15 1rm3 h PHE 259 Ca 0.32 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 1rm3 h PHE 259 Cb -0.13 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.66 1rm3 h PHE 259 CO -0.01 0.92 0.12 0.00 -0.60 0.00 0.00 178.31 178.75 1rm3 h ARG 260 N 1.06 1.03 -0.26 1.51 3.08 -0.69 0.19 114.38 120.30 1rm3 h ARG 260 Ca 0.23 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1rm3 h ARG 260 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1rm3 h ARG 260 CO -0.00 0.95 0.10 0.93 -1.07 0.00 0.00 179.97 180.87 1rm3 h GLU 261 N 0.94 0.21 -0.54 0.04 5.08 -1.03 0.37 114.58 119.66 1rm3 h GLU 261 Ca 0.19 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1rm3 h GLU 261 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1rm3 h GLU 261 CO 0.01 0.14 -0.10 0.77 -1.00 0.00 0.00 179.01 178.83 1rm3 h SER 262 N 0.22 1.02 -0.24 1.42 0.02 -1.35 -2.22 113.55 112.42 1rm3 h SER 262 Ca 0.12 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1rm3 h SER 262 Cb 0.08 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1rm3 h SER 262 CO -0.11 1.13 0.14 0.00 -1.14 0.00 0.00 176.83 176.85 1rm3 h ALA 263 N 0.92 1.76 -0.00 3.77 0.00 -0.45 0.65 119.26 125.91 1rm3 h ALA 263 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rm3 h ALA 263 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rm3 h ALA 263 CO 0.05 0.21 -0.33 -0.25 0.00 0.00 0.00 179.25 178.93 1rm3 n ASP 264 N -4.46 0.53 0.00 0.00 8.00 0.07 -3.14 116.55 117.56 1rm3 n ASP 264 Ca 0.01 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1rm3 n ASP 264 Cb 0.10 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1rm3 n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rm3 n ASN 265 N -1.26 0.00 0.32 -2.24 4.13 -0.43 -4.82 115.26 110.96 1rm3 n ASN 265 Ca 0.08 0.00 0.21 0.00 1.68 0.00 0.00 54.58 56.55 1rm3 n ASN 265 Cb 0.33 0.00 1.06 0.00 -1.54 0.00 0.00 39.78 39.63 1rm3 n ASN 265 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1rm3 h GLU 266 N 0.00 0.00 -0.18 3.52 9.09 -1.78 -2.60 114.58 122.63 1rm3 h GLU 266 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1rm3 h GLU 266 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1rm3 h GLU 266 CO 0.00 0.01 -0.01 1.28 0.05 0.00 0.00 179.01 180.34 1rm3 n LEU 267 N -3.16 3.38 -4.71 3.06 4.77 0.09 -4.98 117.00 115.45 1rm3 n LEU 267 Ca -0.02 -3.10 -0.42 0.00 -0.03 0.00 0.00 56.01 52.44 1rm3 n LEU 267 Cb 0.14 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1rm3 n LEU 267 CO 0.23 0.73 1.37 -0.75 -1.33 0.00 0.00 177.39 177.63 1rm3 s LYS 268 N -2.88 4.15 0.00 3.23 2.20 -0.98 -0.78 119.74 124.68 1rm3 s LYS 268 Ca 0.39 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 1rm3 s LYS 268 Cb 0.33 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1rm3 s LYS 268 CO 0.06 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1rm3 n GLY 269 N 4.00 1.28 0.61 5.54 0.00 -1.26 -4.80 105.19 110.56 1rm3 n GLY 269 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1rm3 n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rm3 n ILE 270 N -2.00 0.47 -5.02 -0.61 2.08 0.04 -4.29 119.36 110.03 1rm3 n ILE 270 Ca 0.00 -0.13 -0.31 0.00 0.56 0.00 0.00 62.75 62.87 1rm3 n ILE 270 Cb 0.00 -1.46 -0.14 0.00 -0.75 0.00 0.00 39.64 37.28 1rm3 n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1rm3 s LEU 271 N -6.28 2.38 0.13 1.39 2.96 -0.04 -0.56 118.68 118.66 1rm3 s LEU 271 Ca -0.12 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1rm3 s LEU 271 Cb 0.04 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1rm3 s LEU 271 CO 0.16 0.31 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.91 1rm3 s SER 272 N -0.86 1.15 -0.10 3.68 0.15 -0.09 -4.57 113.70 113.06 1rm3 s SER 272 Ca 0.11 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1rm3 s SER 272 Cb -0.10 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1rm3 s SER 272 CO 0.01 -0.51 -0.08 -0.69 1.20 0.00 0.00 173.24 173.16 1rm3 s VAL 273 N -3.65 1.00 -0.19 4.45 1.01 -1.26 -0.91 120.40 120.86 1rm3 s VAL 273 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1rm3 s VAL 273 Cb 0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1rm3 s VAL 273 CO -0.01 0.36 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 1rm3 n ASP 275 N 4.11 3.29 -4.86 0.00 8.00 -1.26 -2.11 116.55 123.72 1rm3 n ASP 275 Ca -0.17 -1.96 -0.34 0.00 0.71 0.00 0.00 54.79 53.02 1rm3 n ASP 275 Cb 0.52 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1rm3 n ASP 275 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rm3 s GLU 276 N -1.50 3.90 -1.29 -1.24 0.41 -1.26 -4.85 118.70 112.86 1rm3 s GLU 276 Ca 0.35 0.39 -0.17 0.00 -0.41 0.00 0.00 54.97 55.13 1rm3 s GLU 276 Cb 0.21 -2.82 0.08 0.00 -1.78 0.00 0.00 34.13 29.82 1rm3 s GLU 276 CO 0.30 0.42 1.72 -0.35 -0.49 0.00 0.00 175.26 176.85 1rm3 n PRO 277 N 0.44 3.21 -3.14 0.39 -0.04 -1.26 -4.95 135.00 129.66 1rm3 n PRO 277 Ca -0.03 -3.34 -0.20 0.00 -0.04 0.00 0.00 63.50 59.89 1rm3 n PRO 277 Cb 0.52 -3.43 0.04 0.00 -0.04 0.00 0.00 33.50 30.59 1rm3 n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rm3 s LEU 278 N 3.77 3.18 0.30 1.53 1.43 -1.26 -5.15 118.68 122.48 1rm3 s LEU 278 Ca 0.52 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1rm3 s LEU 278 Cb 0.03 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 1rm3 s LEU 278 CO 0.06 -1.18 0.04 0.68 0.23 0.00 0.00 176.35 176.19 1rm3 s VAL 279 N -2.61 1.15 0.25 -1.59 -7.23 -1.26 -5.06 120.40 104.06 1rm3 s VAL 279 Ca 0.57 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.66 1rm3 s VAL 279 Cb -0.06 -2.68 0.31 0.00 0.56 0.00 0.00 36.38 34.50 1rm3 s VAL 279 CO 0.36 -0.08 1.62 0.77 -0.31 0.00 0.00 175.10 177.46 1rm3 h SER 280 N 2.21 -0.44 -0.22 4.85 4.64 -1.97 -1.02 113.55 121.59 1rm3 h SER 280 Ca -0.40 0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1rm3 h SER 280 Cb 1.24 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 63.71 1rm3 h SER 280 CO 0.68 -0.22 0.18 -0.29 -0.87 0.00 0.00 176.83 176.31 1rm3 h ILE 281 N 0.07 0.70 0.00 0.95 6.09 -1.97 -0.79 117.51 122.56 1rm3 h ILE 281 Ca 0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.92 1rm3 h ILE 281 Cb 0.76 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1rm3 h ILE 281 CO -0.73 0.00 0.00 0.44 -3.07 0.00 0.00 178.15 174.79 1rm3 h ASP 282 N 0.00 0.00 -0.43 2.19 3.32 -1.59 -2.72 116.42 117.19 1rm3 h ASP 282 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1rm3 h ASP 282 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1rm3 h ASP 282 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1rm3 n PHE 283 N -3.06 0.56 -2.15 4.55 3.72 -0.30 -4.94 117.46 115.84 1rm3 n PHE 283 Ca 0.00 -0.28 -0.41 0.00 -0.05 0.00 0.00 57.45 56.71 1rm3 n PHE 283 Cb 0.27 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1rm3 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1rm3 s ARG 284 N -1.44 4.37 -1.36 -1.08 0.52 -1.03 -2.92 118.95 116.01 1rm3 s ARG 284 Ca 0.36 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1rm3 s ARG 284 Cb 0.20 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.55 1rm3 s ARG 284 CO 0.27 -0.21 0.00 0.00 0.02 0.00 0.00 175.30 175.38 1rm3 s THR 286 N -2.79 4.81 -0.11 0.00 -4.23 -1.15 -4.98 115.64 107.19 1rm3 s THR 286 Ca 0.00 1.34 0.24 0.00 -1.18 0.00 0.00 61.69 62.09 1rm3 s THR 286 Cb 0.00 -3.97 0.27 0.00 1.34 0.00 0.00 72.50 70.14 1rm3 s THR 286 CO 0.00 0.44 1.72 0.44 -0.54 0.00 0.00 174.62 176.68 1rm3 h ASP 287 N 5.32 0.00 -4.02 3.99 3.32 -1.92 -3.33 116.42 119.78 1rm3 h ASP 287 Ca -0.46 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.12 1rm3 h ASP 287 Cb 1.20 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.90 1rm3 h ASP 287 CO 0.68 0.16 0.24 0.68 -1.72 0.00 0.00 179.24 179.28 1rm3 s VAL 288 N -3.38 2.43 -0.13 -1.35 -7.23 -1.26 -4.78 120.40 104.70 1rm3 s VAL 288 Ca 0.03 0.14 0.17 0.00 -1.81 0.00 0.00 61.98 60.52 1rm3 s VAL 288 Cb 0.08 -2.65 -0.13 0.00 0.56 0.00 0.00 36.38 34.23 1rm3 s VAL 288 CO 0.65 -0.18 0.83 -1.20 -0.31 0.00 0.00 175.10 174.88 1rm3 n SER 289 N -3.96 0.84 -3.68 4.85 7.64 0.28 -4.63 113.62 114.95 1rm3 n SER 289 Ca 0.06 0.37 -0.10 0.00 1.01 0.00 0.00 58.87 60.20 1rm3 n SER 289 Cb 0.56 0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.88 1rm3 n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rm3 s SER 290 N -5.73 -0.64 -0.21 6.43 0.15 -0.90 -4.08 113.70 108.73 1rm3 s SER 290 Ca -0.03 1.10 0.01 0.00 0.70 0.00 0.00 55.95 57.73 1rm3 s SER 290 Cb 0.09 1.01 0.05 0.00 -1.71 0.00 0.00 66.02 65.46 1rm3 s SER 290 CO 0.81 -0.20 -0.09 -0.89 1.20 0.00 0.00 173.24 174.07 1rm3 s THR 291 N 1.15 1.62 0.20 6.45 2.01 -0.30 -0.91 115.64 125.86 1rm3 s THR 291 Ca -0.07 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1rm3 s THR 291 Cb -0.06 -1.76 -0.09 0.00 0.01 0.00 0.00 72.50 70.60 1rm3 s THR 291 CO -0.11 0.07 1.29 -0.63 -0.69 0.00 0.00 174.62 174.56 1rm3 s ILE 292 N 1.38 3.26 -0.95 1.82 -1.09 -0.09 -0.39 121.20 125.15 1rm3 s ILE 292 Ca -0.03 1.04 -0.15 0.00 -2.23 0.00 0.00 60.65 59.28 1rm3 s ILE 292 Cb -0.17 -3.66 0.19 0.00 -1.58 0.00 0.00 42.46 37.24 1rm3 s ILE 292 CO -0.07 0.16 1.01 -0.62 -1.23 0.00 0.00 174.94 174.19 1rm3 s ASP 293 N 0.31 6.84 0.32 3.58 -1.08 0.22 -0.71 116.67 126.15 1rm3 s ASP 293 Ca 0.56 -2.65 0.10 0.00 -0.52 0.00 0.00 52.55 50.04 1rm3 s ASP 293 Cb -0.36 -2.29 0.94 0.00 -1.46 0.00 0.00 42.92 39.74 1rm3 s ASP 293 CO 0.38 -0.71 1.68 0.77 0.52 0.00 0.00 175.17 177.81 1rm3 h SER 294 N 7.89 0.43 0.68 -0.34 4.64 -1.72 -0.43 113.55 124.69 1rm3 h SER 294 Ca 0.16 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1rm3 h SER 294 Cb 0.99 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1rm3 h SER 294 CO 0.96 -0.08 0.00 -1.54 -0.87 0.00 0.00 176.83 175.30 1rm3 n SER 295 N -5.05 0.25 -0.06 4.97 3.41 -1.26 -2.47 113.62 113.40 1rm3 n SER 295 Ca 0.28 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 1rm3 n SER 295 Cb 0.84 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1rm3 n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rm3 n LEU 296 N -1.77 0.94 -4.73 1.04 4.77 -0.17 -4.94 117.00 112.14 1rm3 n LEU 296 Ca 0.04 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 1rm3 n LEU 296 Cb 0.22 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1rm3 n LEU 296 CO 0.18 0.22 1.27 -0.89 -1.33 0.00 0.00 177.39 176.84 1rm3 s THR 297 N -2.93 2.26 0.04 -5.08 2.01 -1.03 -4.76 115.64 106.15 1rm3 s THR 297 Ca 0.11 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1rm3 s THR 297 Cb 0.17 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1rm3 s THR 297 CO 0.77 0.02 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.63 1rm3 s MET 298 N 0.54 0.45 -0.07 4.92 -1.94 -0.80 -4.85 119.30 117.56 1rm3 s MET 298 Ca 0.69 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 1rm3 s MET 298 Cb -0.47 -0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.34 1rm3 s MET 298 CO 0.37 -0.01 -0.04 0.08 -0.01 0.00 0.00 175.02 175.40 1rm3 s VAL 299 N -1.78 0.66 -0.09 -6.03 1.01 -1.26 -0.63 120.40 112.28 1rm3 s VAL 299 Ca -0.10 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1rm3 s VAL 299 Cb -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1rm3 s VAL 299 CO -0.01 0.28 -0.12 -0.32 0.00 0.00 0.00 175.10 174.93 1rm3 s MET 300 N 1.41 2.93 -1.32 2.72 0.00 0.08 -4.62 119.30 120.51 1rm3 s MET 300 Ca -0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 55.69 54.97 1rm3 s MET 300 Cb -0.13 -2.54 0.03 0.00 0.00 0.00 0.00 34.83 32.18 1rm3 s MET 300 CO -0.03 0.47 0.32 0.41 0.00 0.00 0.00 175.02 176.18 1rm3 n GLY 301 N 2.79 -0.50 4.51 2.11 0.00 -1.26 -1.87 105.19 110.97 1rm3 n GLY 301 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1rm3 n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rm3 n ASP 302 N -2.16 0.00 0.00 1.61 8.00 -1.26 -4.53 116.55 118.21 1rm3 n ASP 302 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1rm3 n ASP 302 Cb 0.60 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1rm3 n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1rm3 n ASP 303 N 0.00 0.32 -4.24 -2.24 5.68 -1.17 -0.97 116.55 113.93 1rm3 n ASP 303 Ca 0.00 -1.14 -0.40 0.00 -0.50 0.00 0.00 54.79 52.76 1rm3 n ASP 303 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1rm3 n ASP 303 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1rm3 s MET 304 N -0.14 2.51 -0.18 0.11 1.75 -0.78 -0.44 119.30 122.13 1rm3 s MET 304 Ca 0.00 -1.58 -0.12 0.00 -1.25 0.00 0.00 55.69 52.74 1rm3 s MET 304 Cb 0.00 -3.79 -0.05 0.00 2.84 0.00 0.00 34.83 33.83 1rm3 s MET 304 CO 0.00 -1.03 0.23 0.08 -0.65 0.00 0.00 175.02 173.65 1rm3 s VAL 305 N 1.38 5.35 -0.16 10.11 1.01 0.31 -0.74 120.40 137.66 1rm3 s VAL 305 Ca 0.04 0.40 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 1rm3 s VAL 305 Cb -0.24 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1rm3 s VAL 305 CO 0.01 0.41 -0.14 -0.75 0.00 0.00 0.00 175.10 174.62 1rm3 s LYS 306 N 0.43 3.22 -0.03 2.72 2.20 0.20 -1.19 119.74 127.29 1rm3 s LYS 306 Ca 0.13 -0.74 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1rm3 s LYS 306 Cb -0.12 -2.66 -0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1rm3 s LYS 306 CO 0.01 -0.01 -0.16 0.08 -0.36 0.00 0.00 175.35 174.92 1rm3 s VAL 307 N 0.89 1.28 -0.20 4.02 1.01 0.21 -1.90 120.40 125.71 1rm3 s VAL 307 Ca -0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1rm3 s VAL 307 Cb -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1rm3 s VAL 307 CO -0.01 0.37 -0.10 -0.63 0.00 0.00 0.00 175.10 174.73 1rm3 s ILE 308 N -0.05 2.92 -0.03 2.22 -1.09 -1.26 -0.93 121.20 122.98 1rm3 s ILE 308 Ca -0.01 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1rm3 s ILE 308 Cb -0.10 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 1rm3 s ILE 308 CO 0.01 0.47 -0.12 0.00 -1.23 0.00 0.00 174.94 174.07 1rm3 s ALA 309 N 1.37 1.08 0.34 9.38 0.00 -0.47 -0.61 121.76 132.86 1rm3 s ALA 309 Ca 0.05 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1rm3 s ALA 309 Cb -0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1rm3 s ALA 309 CO -0.06 0.19 0.62 -1.58 0.00 0.00 0.00 175.76 174.93 1rm3 s TRP 310 N 0.12 3.48 -0.28 0.00 0.52 0.48 -0.52 118.94 122.74 1rm3 s TRP 310 Ca -0.03 0.73 -0.22 0.00 0.02 0.00 0.00 56.10 56.61 1rm3 s TRP 310 Cb -0.09 -2.19 0.09 0.00 -1.15 0.00 0.00 33.47 30.13 1rm3 s TRP 310 CO 0.01 0.06 0.81 1.52 0.02 0.00 0.00 176.95 179.38 1rm3 s TYR 311 N -2.22 -0.76 -0.67 -1.98 1.13 -0.65 -1.15 117.35 111.04 1rm3 s TYR 311 Ca 0.46 1.72 -0.24 0.00 -1.41 0.00 0.00 57.07 57.60 1rm3 s TYR 311 Cb -0.10 0.39 0.06 0.00 -1.10 0.00 0.00 41.96 41.20 1rm3 s TYR 311 CO 0.32 -0.37 1.05 0.34 -2.51 0.00 0.00 175.55 174.37 1rm3 s ASP 312 N 0.76 6.18 0.58 -0.18 -1.08 -1.26 -0.81 116.67 120.86 1rm3 s ASP 312 Ca -0.03 -0.82 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 1rm3 s ASP 312 Cb -0.05 -2.46 1.71 0.00 -1.46 0.00 0.00 42.92 40.66 1rm3 s ASP 312 CO -0.08 -1.54 2.18 -0.55 0.52 0.00 0.00 175.17 175.71 1rm3 h ASN 313 N 9.68 0.00 0.00 -0.34 -1.07 -1.92 -1.02 115.58 120.91 1rm3 h ASN 313 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1rm3 h ASN 313 Cb 1.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 1rm3 h ASN 313 CO 1.20 0.00 -0.49 -0.33 0.07 0.00 0.00 177.43 177.89 1rm3 h GLU 314 N 0.00 0.00 -0.01 4.14 5.08 -1.97 -3.36 114.58 118.45 1rm3 h GLU 314 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1rm3 h GLU 314 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1rm3 h GLU 314 CO -0.00 0.00 -0.04 2.35 -1.00 0.00 0.00 179.01 180.32 1rm3 h TRP 315 N -0.99 0.07 -0.63 4.33 2.91 -1.92 -1.65 115.95 118.07 1rm3 h TRP 315 Ca 0.00 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.02 1rm3 h TRP 315 Cb 0.49 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.09 1rm3 h TRP 315 CO -0.21 0.66 0.39 0.78 -1.03 0.00 0.00 178.44 179.03 1rm3 h GLY 316 N -0.54 0.89 1.00 2.65 0.00 -1.30 -0.96 103.07 104.81 1rm3 h GLY 316 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1rm3 h GLY 316 CO 0.01 0.26 0.23 -1.82 0.00 0.00 0.00 176.54 175.22 1rm3 h TYR 317 N 0.78 0.93 -0.44 5.60 3.20 -1.60 -2.65 116.97 122.78 1rm3 h TYR 317 Ca 0.25 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1rm3 h TYR 317 Cb -0.00 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1rm3 h TYR 317 CO -0.05 0.75 0.17 0.77 -1.64 0.00 0.00 178.16 178.16 1rm3 h SER 318 N 0.84 0.57 -0.52 -2.11 0.02 -0.65 -0.87 113.55 110.82 1rm3 h SER 318 Ca 0.20 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1rm3 h SER 318 Cb 0.22 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1rm3 h SER 318 CO -0.01 0.52 0.24 1.56 -1.14 0.00 0.00 176.83 178.00 1rm3 h GLN 319 N 0.62 0.80 -0.30 3.45 1.08 -0.85 -1.91 115.11 118.00 1rm3 h GLN 319 Ca 0.15 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1rm3 h GLN 319 Cb 0.13 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1rm3 h GLN 319 CO -0.01 0.64 -0.19 0.00 -0.95 0.00 0.00 178.83 178.32 1rm3 h ARG 320 N 0.80 0.56 -0.52 1.46 2.47 -0.95 0.47 114.38 118.66 1rm3 h ARG 320 Ca 0.19 -0.19 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1rm3 h ARG 320 Cb 0.13 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1rm3 h ARG 320 CO -0.02 0.72 0.03 0.28 0.56 0.00 0.00 179.97 181.54 1rm3 h VAL 321 N 0.50 1.26 -0.37 2.04 2.07 -0.66 0.97 116.25 122.06 1rm3 h VAL 321 Ca 0.08 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1rm3 h VAL 321 Cb 0.61 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1rm3 h VAL 321 CO 0.04 0.37 0.18 0.58 0.02 0.00 0.00 177.57 178.76 1rm3 h VAL 322 N 0.77 1.17 -0.54 2.57 2.07 -1.11 0.26 116.25 121.45 1rm3 h VAL 322 Ca 0.15 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1rm3 h VAL 322 Cb 0.48 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1rm3 h VAL 322 CO 0.02 0.18 0.27 0.44 0.02 0.00 0.00 177.57 178.50 1rm3 h ASP 323 N 0.47 0.38 0.06 0.57 3.32 -0.38 0.23 116.42 121.06 1rm3 h ASP 323 Ca 0.13 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 1rm3 h ASP 323 Cb 0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1rm3 h ASP 323 CO -0.02 0.25 -0.38 0.25 -1.72 0.00 0.00 179.24 177.63 1rm3 h LEU 324 N 0.51 0.44 -0.82 1.55 5.85 -0.57 -1.59 115.31 120.68 1rm3 h LEU 324 Ca 0.24 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1rm3 h LEU 324 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1rm3 h LEU 324 CO -0.18 0.78 -0.29 0.00 -0.34 0.00 0.00 178.44 178.41 1rm3 h ALA 325 N 1.24 0.99 -0.58 1.25 0.00 -0.14 -1.48 119.26 120.55 1rm3 h ALA 325 Ca 0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1rm3 h ALA 325 Cb 0.83 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1rm3 h ALA 325 CO 0.07 0.60 0.06 -0.44 0.00 0.00 0.00 179.25 179.54 1rm3 h ASP 326 N 0.47 0.91 -0.66 0.00 3.32 -0.09 -1.78 116.42 118.59 1rm3 h ASP 326 Ca 0.06 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1rm3 h ASP 326 Cb 0.75 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1rm3 h ASP 326 CO 0.06 0.93 0.16 0.40 -1.72 0.00 0.00 179.24 179.06 1rm3 h ILE 327 N 0.89 1.26 -0.88 0.35 2.04 -0.85 -0.92 117.51 119.40 1rm3 h ILE 327 Ca 0.18 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1rm3 h ILE 327 Cb 0.43 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1rm3 h ILE 327 CO 0.01 0.36 0.58 0.58 0.00 0.00 0.00 178.15 179.68 1rm3 h VAL 328 N 0.99 1.18 -0.32 1.67 2.07 -0.83 -0.43 116.25 120.58 1rm3 h VAL 328 Ca 0.21 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1rm3 h VAL 328 Cb 0.37 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1rm3 h VAL 328 CO 0.00 0.21 -0.10 0.00 0.02 0.00 0.00 177.57 177.71 1rm3 h ALA 329 N 1.35 0.45 0.00 1.67 0.00 -0.94 -2.42 119.26 119.37 1rm3 h ALA 329 Ca 0.34 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1rm3 h ALA 329 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rm3 h ALA 329 CO -0.10 0.30 -0.33 -0.91 0.00 0.00 0.00 179.25 178.21 1rm3 h ASN 330 N 0.41 0.00 -0.66 0.00 2.35 -0.68 -2.81 115.58 114.19 1rm3 h ASN 330 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1rm3 h ASN 330 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1rm3 h ASN 330 CO 0.04 0.33 0.00 0.29 -1.65 0.00 0.00 177.43 176.44 1rm3 n LYS 331 N -3.87 2.64 -2.21 0.81 4.76 -0.21 -4.96 118.16 115.12 1rm3 n LYS 331 Ca -0.01 -2.54 -0.42 0.00 -2.87 0.00 0.00 58.31 52.47 1rm3 n LYS 331 Cb 0.40 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 1rm3 n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1rm3 s TRP 332 N -1.13 3.26 0.00 2.13 -0.11 -0.91 -4.61 118.94 117.57 1rm3 s TRP 332 Ca 0.47 1.12 0.00 0.00 1.22 0.00 0.00 56.10 58.90 1rm3 s TRP 332 Cb 0.25 -3.62 0.00 0.00 -1.50 0.00 0.00 33.47 28.59 1rm3 s TRP 332 CO 0.33 -2.05 0.00 0.00 -4.62 0.00 0.00 176.95 170.61 1rm3 n GLN 333 N 3.24 1.55 0.00 5.86 10.64 -1.26 -5.07 117.38 132.34 1rm3 n GLN 333 Ca 0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1rm3 n GLN 333 Cb 0.43 -0.13 0.00 0.00 -0.86 0.00 0.00 30.24 29.68 1rm3 n GLN 333 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23